Datasets:

wirthal1990-tech
/

USDA-Phytochemical-Database-JSON

chemical stringlengths 2 106	plant_species stringlengths 8 48	application stringlengths 6 26 ⌀	dosage stringclasses 35 values	pubmed_mentions_2026 int64 0 222k	clinical_trials_count_2026 int64 0 460	chembl_bioactivity_count int64 0 2.87k	patent_count_since_2020 float64 0 4.47k ⌀	pubchem_cid float64 72 163M ⌀	canonical_smiles stringlengths 2 269 ⌀	compound_type stringclasses 5 values	patent_count_method stringclasses 3 values	partner_cid float64 5.77k 139M ⌀	inchi_key float64	iupac_verified stringclasses 5 values	partner_match_method stringclasses 2 values
UNDECAN-2-ONE	Zingiber officinale	null	null	25	0	0	0	8,163	CCCCCCCCCC(=O)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
MASLINIC-ACID	Terminalia pallida	Antihistaminic	null	505	0	0	0	73,659	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
PIPERITENONE	Agathosma betulina	Perfumery	null	136	0	0	0	381,152	CC1=CC(=O)C(=C(C)C)CC1	discrete_phytochemical	name_based_with_cid	null	null	null	null
TERPINEN-4-OL	Eucalyptus astringens	Antiallergic	null	781	2	0	4	11,230	CC1=CCC(CC1)(C(C)C)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
OCTANOIC-ACID	Myristica fragrans	Candidicide	null	1,950	0	0	0	379	CCCCCCCC(=O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
FEROCOLICIN	Ferula assa-foetida	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
SALIDROSIDE	Salix alba	CNS-Stimulant	null	1,307	1	211	4	159,278	C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
GYPENOSIDE-XLIII	Gymnema sylvestre	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
CINNAMYLCOCAINE	Erythroxylum novogranatense var. novogranatense	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
AURAPTEN	Citrus limon	Antiaggregant	EC100=50 uM	22	0	0	0	1,550,607	CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
TETRAPHYLLICINE	Rauvolfia serpentina	null	null	3	0	0	0	6,436,266	CC=C1CN2C3CC1C4C2CC5(C3N(C6=CC=CC=C65)C)C4O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALPHA-PHELLANDRENE	Eucalyptus erythrandra	Dermal	null	424	0	17	1	7,460	CC1=CCC(C=C1)C(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
GUANOSINE	Beta vulgaris subsp. subsp. vulgaris	null	null	27,801	0	42	39	135,398,635	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
PROTOCATECHUIC-ACID	Equisetum arvense	Antiarrhythmic	null	2,680	0	0	0	72	C1=CC(=C(C=C1C(=O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
HAYATIDINE	Cissampelos pareira	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
PROTOCATECHUIC-ACID	Curcuma longa	Antiarrhythmic	null	2,680	0	0	0	72	C1=CC(=C(C=C1C(=O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALPHA-TRUXILLINE	Erythroxylum novogranatense var. truxillense	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	94,155	null	bis[(1R,2R,3S,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate	name_join
DEACETYL-NOMILIN	Casimiroa edulis	null	null	6	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	139,082,180	null	DEACETYL-NOMILIN	pubchem_name_resolve
SCOPOLINE	Datura candida	null	null	12	0	0	0	25,084,503	CN1C2CC3CC1C(C2O)O3	discrete_phytochemical	name_based_with_cid	null	null	null	null
HYDROXYPROLINE	Citrullus lanatus	Vulnerary	null	15,447	2	0	14	5,810	C1C(CNC1C(=O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
STIGMASTEROL	Amaranthus spinosus	Antihepatotoxic	null	2,855	0	125	3	5,280,794	CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
DIHYDROQUERCETIN	Maclura pomifera	Antimutagenic	ID50=50-100 nM	508	0	0	5	439,533	C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ETHYL-GALLATE	Tagetes erecta	Anticarcinomic	ED50=18	292	0	0	0	13,250	CCOC(=O)C1=CC(=C(C(=C1)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
BAICALIN	Scutellaria galericulata	Aldose-Reductase-Inhibitor	IC42=10 uM	3,237	1	266	12	64,982	C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
GAMMA-EUDESMOL	Eucalyptus fasiculosa	null	null	115	0	2	0	6,432,005	CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
6,7-DIEPICASTANOSPERMINE	Castanospermum australe	null	null	2	0	0	0	54,445	C1CN2CC(C(C(C2C1O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
CINEOLE	Melaleuca viridiflora	null	null	2,418	1	804	13	2,758	CC1(C2CCC(O1)(CC2)C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
LYCODINE	Lycopodium annotinum	null	null	43	0	0	0	5,462,443	CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALPHA-FENCHYL-ALCOHOL	Ferula gummosa	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
M-CARBOXYPHENYLALANINE	Sechium edule	null	null	3	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
NORVALINE	Ribes nigrum	null	null	561	0	6	6	65,098	CCCC(C(=O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
ADENOSINE	Urtica dioica	Antiaggregant	null	134,798	120	725	273	60,961	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
CAMPHOLENIC-ALDEHYDE	Eucalyptus siderophloia	null	null	15	0	0	0	98,497	CC1=CCC(C1(C)C)CC=O	discrete_phytochemical	name_based_with_cid	null	null	null	null
LINALOOL-OXIDE	Zingiber officinale	null	null	264	0	0	0	22,310	CC1(CCC(O1)C(C)(C)O)C=C	discrete_phytochemical	name_based_with_cid	null	null	null	null
STROBAL	Pinus strobus	null	null	1	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
(E)-5-(3-FURANYL)-2-METHYLPENT-3-EN-2-OL	Artemisia salsoloides	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
NEROLIDOL	Momordica charantia	Aldose-Reductase-Inhibitor	null	938	0	19	1	5,284,507	CC(=CCCC(=CCCC(C)(C=C)O)C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
KAEMPFEROL-3-MONOGLUCOSIDE	Kalanchoe pinnata	null	null	2	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
MELATONIN	Hordeum vulgare	Anaphrodisiac	null	34,598	460	1,755	105	896	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC	discrete_phytochemical	name_based_with_cid	null	null	null	null
ARGININE	Psophocarpus tetragonolobus	Antidiabetic?	null	115,707	283	167	433	6,322	C(CC(C(=O)O)N)CN=C(N)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
HISTAMINE	Urtica dioica	Allergenic	null	64,921	58	598	42	774	C1=C(NC=N1)CCN	discrete_phytochemical	name_based_with_cid	null	null	null	null
SOLANESOL	Solanum tuberosum	null	null	146	0	63	1	5,477,212	CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
DECYLIC-ACID-ESTER	Coriandrum sativum	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
POLYACETYLENES	Panax ginseng	null	null	563	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
GLYCINE	Vigna angularis	Antiacid	null	75,125	60	621	285	750	C(C(=O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
BETA-CARYOPHYLLENE	Ageratum conyzoides	null	null	2,389	6	56	17	5,281,515	CC1=CCCC(=C)C2CC(C2CC1)(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
FLUORINE	Moringa oleifera	null	null	25,362	68	0	2,009	24,524	FF	inorganic_element	name_based_with_cid	null	null	null	null
ARACHIDIC-ACID	Strychnos nux-vomica	null	null	488	0	0	0	10,467	CCCCCCCCCCCCCCCCCCCC(=O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
LUTEIN-EPOXIDE	Lycopersicon esculentum	null	null	55	0	0	0	5,281,244	CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
CASIMIROIN	Casimiroa edulis	null	null	3	0	6	0	124,075	CN1C(=O)C=C(C2=C1C3=C(C=C2)OCO3)OC	discrete_phytochemical	name_based_with_cid	null	null	null	null
SODIUM-PROP-CIS-1-ENYL-THIOSULFATE	Allium cepa	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
BARIUM	Capsicum frutescens	null	null	25,370	29	0	439	5,355,457	[Ba]	inorganic_element	name_based_with_cid	null	null	null	null
POLYSACCHARIDE-PES-A	Eleutherococcus senticosus	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
PICEIN	Salix sp.	null	null	51	0	37	0	92,123	CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
(+)-ISOCORYNOLINE	Corydalis spp	null	null	0	0	0	0	10,143	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC	discrete_phytochemical	name_based_with_cid	null	null	null	null
GLOBULOL	Eucalyptus maideni	null	null	103	0	8	0	12,304,985	CC1CCC2C1C3C(C3(C)C)CCC2(C)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
P-COUMARIC-ACID	Urginea maritima	Allelopathic	null	3,572	0	0	0	637,542	C1=CC(=CC=C1C=CC(=O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
VIT-A	Petroselinum crispum	null	null	189	1	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
YUANHUADINE	Daphne genkwa	Abortifacient	null	17	0	97	0	6,440,572	CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO	discrete_phytochemical	name_based_with_cid	null	null	null	null
SAFROLE	Juniperus virginiana	Anesthetic	null	522	0	598	1	5,144	C=CCC1=CC2=C(C=C1)OCO2	discrete_phytochemical	name_based_with_cid	null	null	null	null
TETRATRIACONTANE	Artemisia annua	null	null	22	0	0	0	26,519	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	discrete_phytochemical	name_based_with_cid	null	null	null	null
CAO	Tridax procumbens	null	null	0	3	0	352	null	null	inorganic_element	name_based_no_cid	null	null	null	null
ALCOHOLS	Helichrysum angustifolium	null	null	63,333	0	0	720	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
AROMOLINE	Mahonia aquifolium	Antimalarial	IC50=0.67 ug/ml (ca 1/5 chloroquine)	12	0	26	0	362,574	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALKALOIDS	Sassafras albidum	null	null	73,372	3	0	120	null	null	substance_class	name_based_no_cid	null	null	null	null
LEUCINE	Ribes nigrum	Antiencephalopathic	null	67,153	100	108	209	6,106	CC(C)CC(C(=O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
FORMALDEHYDE	Avena sativa	Allergenic	null	27,022	5	43	457	712	C=O	discrete_phytochemical	name_based_with_cid	null	null	null	null
RIBOFLAVIN	Vaccinium macrocarpon	Antiarabiflavinotic	2-10 mg/day orl	13,392	111	171	40	493,570	CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ISOBUTYRIC-ACID	Mentha x piperita subsp. nothosubsp. piperita	Irritant	null	1,247	0	0	0	6,590	CC(C)C(=O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
KARUSAN-B	Panax ginseng	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
KAEMPFEROL-3-SOPHOROSIDE-RHAMNOSIDE	Solanum tuberosum	null	null	0	0	0	0	157,010,005	CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
PHOSPHATIDYL-GLYCEROL	Malus domestica	null	null	471	0	0	0	44,566,653	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC	discrete_phytochemical	name_based_with_cid	null	null	null	null
ROBUSTINE	Dictamnus caucasicus	null	null	6	0	2	0	164,950	COC1=C2C=COC2=NC3=C1C=CC=C3O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALPHA-CAROTENE	Viscum album	Colorant	null	1,701	0	0	0	6,419,725	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
ALFALFONE	Medicago sativa subsp. sativa	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
BETA-PINENE	Rosmarinus eriocalyx	Allergenic	null	2,094	0	53	13	14,896	CC1(C2CCC(=C)C1C2)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
HEXADECANOIC-ACID	Glycyrrhiza glabra	null	null	1,566	0	0	0	5,326,436	CC[CH-]C[CH-]C[CH-]CCCCCCCCC(=O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
LABALLENIC-ACID	Leonotis nepetaefolia	null	null	5	0	0	0	5,312,471	CCCCCCCCCCCC=C=CCCCC(=O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
LYSINE	Chenopodium album	Antialkalotic	null	89,966	57	54	435	5,962	C(CCN)CC(C(=O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
5-ALPHA-27-HYDROXY-6-ALPHA-7-ALPHA-EPOXY-1-OXOWITHA-2,24-DIENOLIDE	Withania somnifera	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
NAGINATAKETONE	Perilla frutescens	null	null	2	0	0	0	564,412	CC1=C(OC=C1)C(=O)C=C(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
EUGLOBAL-VII	Eucalyptus globulus	null	null	0	0	0	0	131,750,947	CC1=CCCC2(CC3=C(C(=C(C(=C3OC2C4C(C4(C)C)CC1)C=O)O)C(=O)CC(C)C)O)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
PHOSPHORUS-OXIDE	Lagenaria siceraria	null	null	64	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
ALPHA-CADINOL	Cleonia lusitanica	Acaricide	null	271	0	20	0	10,398,656	CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
HISTIDINE	Apium graveolens	Antiarteriosclerotic	null	48,975	12	138	177	6,274	C1=C(NC=N1)CC(C(=O)O)N	discrete_phytochemical	name_based_with_cid	null	null	null	null
QUINOVIC-ACID-3BETA-O-(BETA-D-GLUCOPYRANOSYL-(1->3)BETA-D-FUCOPYRANOSYL-(27->1)BETA-D-GLUCOPYRANOSYL-ESTER	Uncaria tomentosa	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
CAFFEIC-ACID	Elettaria cardamomum	Allergenic	null	9,490	0	0	0	689,043	C1=CC(=C(C=C1C=CC(=O)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
BETA-GLUCOGALLIN	Rheum palmatum	null	null	66	0	28	0	124,021	C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
BARBALOIN	Frangula purshiana	Antihistaminic	IC50=20-60 ug/ml	76	0	17	0	12,305,761	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO	discrete_phytochemical	name_based_with_cid	null	null	null	null
5-0-METHYLGENISTEIN	Stauracanthus boivinii	null	null	0	0	0	0	129,633,820	CC1=C(C(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
KILOCALORIES	Sphenostylis stenocarpa	null	null	1,213	1	0	1	null	null	generic_ambiguous	name_based_no_cid	null	null	null	null
CANNABIFURAN	Cannabis sativa	null	null	3	0	0	0	9,966,466	CCCCCC1=CC(=C2C(=C1)OC3=C(C=CC(=C23)C(C)C)C)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
BETA-PINENE	Eucalyptus maideni	Allergenic	null	2,094	0	53	13	14,896	CC1(C2CCC(=C)C1C2)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
P-CYMOL	Turnera diffusa	null	null	7	0	0	0	7,463	CC1=CC=C(C=C1)C(C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
ASCORBIC-ACID	Dioscorea pentaphylla	Acidulant	FEMA 6,000	42,639	0	0	0	9,888,239	C(C(C1C(C(=O)C(=O)O1)O)O)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
TAXUSIDE	Taxus baccata	null	null	0	0	0	0	null	null	discrete_phytochemical	name_based_no_cid	null	null	null	null
SCOPOLAMINE	Datura stramonium	Allergenic	null	9,539	0	12	6	3,000,322	CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4	discrete_phytochemical	name_based_with_cid	null	null	null	null
LIMONENE	Echinacea spp	AChE-Inhibitor	null	6,286	0	433	70	22,311	CC1=CCC(CC1)C(=C)C	discrete_phytochemical	name_based_with_cid	null	null	null	null
PANGELIN	Angelica dahurica	null	null	2	0	0	0	44,144,315	CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	discrete_phytochemical	name_based_with_cid	null	null	null	null
ISOCHONDODENDRINE	Chondrodendron tomentosum	Antileishmanic	null	7	0	2	0	197,726	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC	discrete_phytochemical	name_based_with_cid	null	null	null	null

End of preview. Expand in Data Studio

Ethno-API v2.4.0 — Public Sample

Hugging Face hosts a 400-row public sample of Ethno-API v2.4.0: a cleaned and enriched phytochemical data-engineering project derived from the USDA Dr. Duke source data.
The full project contains 76,907 records, 2,313 plant species, 24,746 unique chemical entities, and a 16-field public schema with PubMed, ClinicalTrials.gov, ChEMBL, PatentsView, PubChem CID/SMILES, and partner-assisted CID/IUPAC resolution fields.
No medical claims. No pharmaceutical validation. No safety or efficacy claims. Research and retrieval use only.

What Is Hosted Here

Item	Value
Hosted file	`ethno_sample_400.parquet`
Hosted split	`train`
Public sample size	400 rows
Hosted format	Parquet
Public sample license	CC BY 4.0
Full project version	v2.4.0
Full project records	76,907
Full project plant species	2,313
Full project unique chemical entities	24,746
Public schema fields	16
Partner-assisted CID/IUPAC records	1,197
DOI	`10.5281/zenodo.19660107`

This Hugging Face repository is a public sample and documentation surface, not the full commercial export package.

Load the Public Sample

from datasets import load_dataset

ds = load_dataset(
    "wirthal1990-tech/USDA-Phytochemical-Database-JSON",
    split="train",
)

print(ds)
print(ds.column_names)
print(ds[0])

Pandas / Parquet workflow:

import pandas as pd

df = pd.read_parquet("hf://datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON/ethno_sample_400.parquet")

print(df.shape)
print(df[["chemical", "plant_species", "pubchem_cid", "canonical_smiles"]].head())

Dataset Scope

Ethno-API is a machine-readable, enriched version of the USDA Dr. Duke phytochemical and ethnobotanical source data, flattened into a practical JSON/Parquet-oriented structure for:

data rescue and normalization demonstrations
retrieval / RAG ingestion experiments
phytochemical and natural-products data prototypes
QA-gated identifier workflows
data-product portfolio proof for client projects

It is not a medical product, not a clinical validation layer, and not evidence that any compound is safe, effective, therapeutically useful, or suitable for use.

Public Schema — v2.4.0, 16 Fields

Field	Type	Coverage	Notes
`chemical`	string	100%	USDA compound label, normalized for flat-table use
`plant_species`	string	100%	Latin binomial species name
`application`	string / null	partial	Source application / activity context where present
`dosage`	string / null	partial	Source dosage or concentration text where present; not usage guidance
`pubmed_mentions_2026`	integer	enrichment layer	PubMed mention-count snapshot
`clinical_trials_count_2026`	integer	enrichment layer	ClinicalTrials.gov study-count snapshot; not clinical validation
`chembl_bioactivity_count`	integer	enrichment layer	ChEMBL bioactivity measurement count
`patent_count_since_2020`	integer / float	enrichment layer	PatentsView / patent-density feature
`pubchem_cid`	integer / null	approx. 75–82% depending on export/audit view	PubChem CID from enrichment pipeline
`canonical_smiles`	string / null	57,757 records with SMILES	Canonical SMILES retrieved via PubChem
`compound_type`	string	100%	Compound classification used for filtering
`patent_count_method`	string	100%	Method label for patent-count derivation
`partner_cid`	integer / null	1,197 records	Partner-assisted PubChem CID resolution
`inchi_key`	string / null	subset	Partner-assisted InChIKey / identifier resolution
`iupac_verified`	string / bool / null	subset	Partner-assisted identifier-verification state
`partner_match_method`	string / null	subset	Match method used in partner-resolution file

Partner-resolution file: exports/iupac_cid_resolutions.json — 1,197 partner-assisted CID/IUPAC resolution records.

Enrichment Layers

Layer	Function	Limitation
PubMed	Mention-count snapshot	Search-density proxy only
ClinicalTrials.gov	Study-count snapshot	Not clinical validation
ChEMBL	Bioactivity-count feature	Count metadata, not safety or efficacy proof
PatentsView	Patent-density feature	Innovation / IP-density proxy
PubChem	CID and canonical SMILES enrichment	Coverage depends on successful identifier matching
Partner-assisted resolution	CID/IUPAC identifier resolution subset	Identifier-level contribution only

QA Pipeline

Normalize USDA source records into a flat analytical schema.
Add external enrichment layers from PubMed, ClinicalTrials.gov, ChEMBL, PatentsView, and PubChem.
Retrieve PubChem CID and canonical SMILES where available.
Add compound classification and patent-count method fields.
Add partner-assisted CID/IUPAC resolution subset.
Run reverse-SMILES QA as a downstream identifier-consistency gate.
Export JSON and Parquet samples for analysis and retrieval experiments.

Reverse-SMILES QA Audit — v2.4.0

Verdict	Count	Interpretation
`validated`	11,981	Strict round-trip pass
`plausible`	8,370	Pass with caveats
`review_required`	37,361	Visible but not auto-trusted
`invalidated`	45	Failed validation; excluded from default retrieval-ready export
`insufficient_data`	19,150	No SMILES available
Total	76,907	Full v2.4.0 input set

Default retrieval-ready rule: exclude invalidated and insufficient_data. Keep review_required visible, but do not auto-trust it.

Export-eligible records by the stated QA rule: 57,712
validated + plausible + review_required = 11,981 + 8,370 + 37,361

Known v2.4.0 QA fixes include thiol-false-alcohol detection, non-carboxylic-acid classifier correction, and strictest-verdict-wins CID tainting logic.

Intended Use

Use case	Fit
Retrieval experiments	Build test corpora for vector search and RAG pipelines
Data cleaning demos	Show normalization, enrichment, and QA-gating workflows
Natural-products data prototypes	Explore structured phytochemical source data
Portfolio proof	Demonstrate data rescue → enrichment → QA → export architecture
Review workflows	Inspect identifier-resolution and QA-gate logic on a bounded public sample

Limitations — Read Before Use

Public sample only. This Hub dataset contains a 400-row public sample, not the full 76,907-record export.
No pharmaceutical validation. This dataset does not confirm biological activity, safety, efficacy, dosage relevance, or clinical utility.
No medical claims. Nothing in this repository constitutes medical advice, treatment guidance, product guidance, or usage recommendation.
Source dependency. Baseline relationships reflect USDA/source-database records and may contain historical terminology, sparse annotations, or context limitations.
Coverage gaps. Not all records have PubChem CID, SMILES, InChIKey, dosage/source-concentration text, or activity context.
Partner validation is scoped. The 1,197 partner-assisted records are identifier-resolution work, not full pharmacological validation.
QA verdicts are not clinical verdicts. Reverse-SMILES QA checks identifier consistency, not biological truth.
Snapshot. v2.4.0 reflects a point-in-time enrichment snapshot. External databases can change.

Distribution

Channel	URL
Website	https://ethno-api.com
GitHub	https://github.com/wirthal1990-tech/USDA-Phytochemical-Database-JSON
Hugging Face	https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON
Kaggle	https://www.kaggle.com/datasets/alexanderwirth/usda-phytochemical-database-json
Zenodo DOI	https://doi.org/10.5281/zenodo.19660107

Citation

@misc{ethno_api_v24_2026,
  title     = {USDA Phytochemical & Ethnobotanical Database -- Enriched v2.4.0},
  author    = {Wirth, Alexander},
  year      = {2026},
  publisher = {Ethno-API},
  url       = {https://ethno-api.com},
  doi       = {10.5281/zenodo.19660107},
  note      = {76,907 records, 24,746 unique chemical entities, 2,313 plant species}
}

Credits

Role	Contributor
Data pipeline and project architecture	Alexander Wirth
Scientific review / partner-resolution contribution	Dominic Fagan (BSc Chemistry)

License

Public sample files in this repository: CC BY 4.0 unless otherwise stated.
Full commercial dataset: separate Ethno-API license terms.
Code snippets / methodology scripts: MIT only where explicitly marked.

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