pinocembrin profile

pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Related Flora

Pathways (4)

pinocembrin is involved in 4 pathway(s), involving a total of 16 unique proteins and 84 unique compounds

Flora	Rank	Flora Definition	Family	Family Definition
Cryptocarya	genus	A plant genus of the family LAURACEAE. Members contain cryptofolione, caryachine, grandisin and other compounds. Some PEUMUS species have been reclassified as CRYPTOCARYA.[MeSH]	Lauraceae	A family of mainly aromatic evergreen plants in the order Laurales. The laurel family includes 2,200 species in 45 genera and from these are derived medicinal extracts, essential oils, camphor and other products.[MeSH]
Piper	genus	A plant genus of the family PIPERACEAE that includes species used for spicy and stimulating qualities.[MeSH]	Piperaceae	A family of flowering plants in the order Piperales best known for the black pepper widely used in SPICES, and for KAVA and Betel used for neuroactive properties.[MeSH]
Piper sarmentosum	species	[no description available]	Piperaceae	A family of flowering plants in the order Piperales best known for the black pepper widely used in SPICES, and for KAVA and Betel used for neuroactive properties.[MeSH]

ID Source	ID
PubMed CID	68071
CHEMBL ID	399910
CHEBI ID	28157
SCHEMBL ID	10026578
MeSH ID	M0065808
PubMed CID	238782
CHEMBL ID	70518
SCHEMBL ID	291899
MeSH ID	M0065808

Synonym
(+)-pinocoembrin
BRD-K94689771-001-02-5
nsc-43318
DIVK1C_006992
SDCCGMLS-0066749.P001
OPREA1_508274
SPECTRUM5_000349
(s)-2,3-dihydro-5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one
4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (-)-
nsc 43318
nsc 661207
4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (s)-
nsc 279005
SPECTRUM_001879
SPECTRUM4_001765
BSPBIO_003329
dihydrochrysin
(2s)-5,7-dihydroxy-2-phenyl-chroman-4-one
galangin flavanone
NSC661207 ,
nsc43318
4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (s)-(-)-
nsc-279005
C09827
480-39-7
pinocembrin
MLS000697595
smr000232372
MLS000728654
KBIOSS_002406
KBIO2_007537
KBIO1_001936
KBIO2_004969
KBIOGR_002249
KBIO2_002401
KBIO3_002549
SPECTRUM3_001635
SPECTRUM2_001670
SPECPLUS_000896
SPBIO_001859
NCGC00178137-01
(s)-5,7-dihydroxyflavanone
(2s)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one
chembl399910 ,
bdbm26667
(2s)-pinocembrin
LMPK12140214
chebi:28157 ,
(2s)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
(2s)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one
AKOS004111068
8t7c8ch791 ,
unii-8t7c8ch791
4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2s)-
HMS2205J20
S3941
(s)-pinocembrin
CCG-39668
URFCJEUYXNAHFI-ZDUSSCGKSA-N
SCHEMBL10026578
(+)-pinocembrin
AC-34601
(s)-5,7-dihydroxy-2-phenylchroman-4-one
DTXSID3075412
pinocembrin (6ci)
SR-01000762561-3
sr-01000762561
pinocembrin, analytical standard, 95% (tlc), solid
CS-0009111
HY-N0575
AS-56293
XP162085
(2~{s})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
STL578139
68745-38-0
nsc-661207
MEGXP0_000456
ACON1_000231
NCGC00180757-01
NSC279005 ,
4h-1-benzopyran-4-one,3-dihydro-5,7-dihydroxy-2-phenyl-, (s)-
4h-1-benzopyran-4-one,3-dihydro-5,7-dihydroxy-2-phenyl-, (-)-
5,7-dihydroxyflavanone
smr000440642
MLS000877016
5,7-dihydroxy-2-phenyl-chroman-4-one
BRD-A84450718-001-01-4
5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CHEMBL70518
HMS2267H13
FT-0630778
5,7-dihydroxy-2-phenylchroman-4-one
AKOS015895182
HMS3330B01
SCHEMBL291899
mfcd00017482
(+/-)-pinocembrin
AC-35131
5,7-dihydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one #
FT-0698458
( inverted exclamation marka)-pinocembrin
DTXSID80285959
A871991
bdbm243060
ptp inhibitor, 4l
rac-pinocembrin
pinocembrin (racemic)
Q748200
SB17302
(+/-)-5,7-dihydroxyflavanone; nsc 43318
dl-0108
()-5,7-dihydroxyflavanone; nsc 43318
()-pinocembrin
HY-N2540
CS-0022812
FS-7859

Excerpt	Reference
"Pinocembrin is a dihydroflavonoid, which is widely found in several plant species. "	( Du, Y; Feng, X; Jiang, K; Liu, C; Liu, Y; Pang, X; Wang, W; Wang, X, 2021)
"Pinocembrin is a natural favonoid compound, which can be extracted from honey, propolis and several other plants."	( Cao, P; Chen, Q; Gong, Z; Pei, M; Shi, C; Wang, L, 2022)
"Pinocembrin (PB) is a kind of flavonoid molecule isolated from honey and propolis and has antimicrobial, anti-inflammatory, antioxidant, and anticancer function."	( Gu, X; Tu, J; Wang, W; Xu, L; Zheng, L, 2020)
"Pinocembrin is a natural flavonoid that may exert protective effects on osteocytes."	( Gong, LJ; Huang, JM; Jiang, C; Wang, XY; Yan, ZQ, 2020)
"Pinocembrin is a flavonoid with anti-inflammatory effects."	( Cui, M; Cui, Y; Gan, W; Helian, K; Li, X; Liu, R; Ning, W; Ren, S; Wang, M; Wei, Y; Xiao, T; Yang, C; Zhou, H, 2021)
"Pinocembrin (PINO) is a natural flavonoid retaining anti-microbial, anti-oxidant, and anti-inflammatory activities."	( El-Demerdash, AA; Elsherbiny, DA; Esmat, A; Menze, ET; Tadros, MG, 2021)
"Pinocembrin (PCB) is a natural flavonoid extracted as a pure molecule from honey, propolis, and some plants."	( Ahmed, EA; Ibrahim, HM; Khalil, HE, 2021)
"Pinocembrin is a natural flavanone with versatile biological and pharmacological activities."	( Chen, X; Chen, Y; Hu, CW; Hu, F; Wang, K; Wu, Y; Zheng, Y, 2018)
"Pinocembrin is a major flavonoid molecule incorporated as multifunctional in the pharmaceutical industry."	( Ali Eltayb, W; Ali, M; Li, J; Li, X; Millimouno, FM; Rasul, A, 2013)
"Pinocembrin is a flavonoid that exhibits diverse biological properties. "	( Ahn, JH; Kim, BG; Lee, H, 2014)
"Pinocembrin is a major flavonoid molecule isolated from honey and propolis. "	( Abdel Salam, RM; Attia, AS; Kenawy, SA; Saad, MA, 2015)
"Pinocembrin is a natural flavonoid compound extracted from honey, propolis, ginger roots, wild marjoram, and other plants. "	( Lan, X; Li, Q; Wang, J; Wang, W, 2016)
"(2S)-Pinocembrin is a chiral flavanone with versatile pharmacological and biological activities. "	( Chen, X; Guo, L; Kong, JQ; Li, LN; Pan, YT; Tang, W, 2016)
"Pinocembrin is a major flavonoid found in rhizomes of fingerroot (Boesenbergia pandurata)."	( Arjinajarn, P; Chatsudthipong, V; Chattipakorn, N; Jaikumkao, K; Lungkaphin, A; Pompimon, W; Pongchaidecha, A; Promsan, S, 2016)
"Pinocembrin is a flavonoid that has been reported to exhibit various pharmacological and biological activities including antimicrobial, antioxidant, and anti-inflammatory. "	( Giri, SS; Park, SC; Sen, SS; Sukumaran, V, 2016)

Excerpt	Reference
"Pinocembrin has a variety of pharmacological activities, such as neuroprotective effect, antimicrobial activity, and antioxidant efficacy."	( Guo, L; Kong, J, 2015)
"Pinocembrin (Pin) has been confirmed to exert anti-inflammatory and antiatherosclerotic effects. "	( Pan, T; Tian, H; Wang, S; Wang, T; Wu, Y; Yao, S; Yu, H, 2022)
"Pinocembrin has been shown to have neuroprotective effects, while the therapeutic functions under IH condition are still unknown."	( Gong, LJ; Gu, WY; Wang, XY; Wu, X, 2020)
"Pinocembrin (Pino) has been widely used in the therapy of cancer and other diseases due to its anti-inflammatory, anti-allergic, anti-oxidant, anti-carcinogenic, and anti-viral activities."	( Pei, B; Sun, J, 2018)
"Pinocembrin has also been found to play a role in Parkinson's disease, Alzheimer's disease, and specific solid tumors, but its mechanisms of action require in-depth studies."	( Liu, Y; Luo, X; Shen, X; Yang, Z, 2019)
"Pinocembrin has been shown to have therapeutic effects in AD models."	( Du, GH; Li, JZ; Li, YJ; Liu, R; Song, JK; Sun, JL; Zhang, TT; Zhou, SB, 2014)
"Pinocembrin has a variety of pharmacological activities, such as neuroprotective effect, antimicrobial activity, and antioxidant efficacy."	( Guo, L; Kong, J, 2015)

Excerpt	Reference
"Pinocembrin may inhibit the growth of A."	( Chen, D; Chen, J; Geng, Y; Huang, X; Liang, C; Miao, Y; Ouyang, P; Wei, W; Wu, J; Wu, Y; Yin, L, 2022)
"Pinocembrin may produce these effects by inhibiting the NLRP3 pathway."	( Chen, X; Liu, Z; Wan, W; Yang, B; Ye, T; Yu, Y; Zhang, C, 2022)
"Pinocembrin (Pino) can inhibit reactive oxygen species (ROS) and cell death in a variety of diseases, such as cardiovascular diseases, but the role of Pino in random flaps has not been explored."	( Chen, H; Diao, W; Jiang, S; Li, J; Li, Y; Lou, J; Wang, X; Xie, Y; Xu, S; Yang, Y; Ye, M, 2023)
"Pinocembrin was shown to inhibit both AngII-induced Ca(2+) release from internal stores and Ca(2+) influx."	( Chen, BN; Du, GH; Gao, L; Li, L; Liu, DP; Pang, XB; Wang, L; Wang, SB, 2013)

Excerpt	Reference
"Pinocembrin treatment significantly inhibited the formation of NLRP3 inflammasome and infiltration of microglia and enhanced BNIP3-mediated mitophagy in the hippocampus of IH mice."	( Gong, LJ; Gu, WY; Wang, XY; Wu, X, 2020)
"Pinocembrin-treatment could also reduce the number of TUNEL-positive and Caspase-3-positive neurons, and upregulate the expression of LC3B and Beclin1 in penumbra area."	( Du, G; Li, L; Wu, S; Zhang, W; Zhao, G, 2014)
"Pinocembrin pretreatment improved renal function and renal Oat3 function and reduced oxidative stress and apoptotic conditions."	( Arjinajarn, P; Chatsudthipong, V; Chattipakorn, N; Jaikumkao, K; Lungkaphin, A; Pompimon, W; Pongchaidecha, A; Promsan, S, 2016)
"Pre-treatment with Pinocembrin attenuated LPS-induced hepatocyte dysfunction and reduced levels of pro-inflammatory factors and macrophages infiltration."	( Cao, P; Chen, Q; Gong, Z; Pei, M; Shi, C; Wang, L, 2022)
"Post-treatment with pinocembrin decreased microglial/macrophage activation at 3days, consistent with the recovery of CBF and APTw MRI signals in regions of secondary injury."	( Cheng, T; Fan, H; Hong, M; Huang, X; Jiang, S; Lee, DH; Wang, J; Wang, W; Yu, J; Zhang, H; Zhou, J, 2017)
"Treatment with pinocembrin significantly reduced Th2 cytokines interleukin (IL)-4, IL-5 and IL-13 in BALF, and OVA-specific IgE in serum."	( Du, Q; Gu, X; Shen, H; Zhang, Q; Zhu, Z, 2017)
"Treatment with pinocembrin (10(-5), 10(-6), 10(-7) mol/l) increased cell viability dose-dependently, inhibited LDH release and attenuated apoptosis."	( Du, GH; Gao, M; Hu, JJ; Liu, GT; Liu, QS; Zhang, WC, 2008)
"Pretreatment with pinocembrin (30 or 50 microM) also inhibited contractile responses to NE and KCl."	( Du, GH; Fang, LH; Li, YJ; Zhu, XM, 2007)

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antioxidant	A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
vasodilator agent	A drug used to cause dilation of the blood vessels.
neuroprotective agent	Any compound that can be used for the treatment of neurodegenerative disorders.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
dihydroxyflavanone	Any hydroxyflavanone carrying two hydroxy substituents.
(2S)-flavan-4-one	Any flavanone in which the chiral centre at position 2 has S-configuration.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Flavonoid Biosynthesis	11	50
chrysin biosynthesis	1	12
pinocembrin C-glucosylation	3	7
pinobanksin biosynthesis	1	15

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
chromobox protein homolog 1	Homo sapiens (human)	Potency	100.0000	0.0060	26.1688	89.1251	AID540317
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	7.9433	1.9953	25.5327	50.1187	AID624287
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	1.7783	0.0032	45.4673	12,589.2998	AID2517
Luciferase	Photinus pyralis (common eastern firefly)	Potency	16.9441	0.0072	15.7588	89.3584	AID588342
ATAD5 protein, partial	Homo sapiens (human)	Potency	24.5092	0.0041	10.8903	31.5287	AID504466; AID504467
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	11.2202	0.2818	9.7212	35.4813	AID2326
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	89.1251	0.4256	12.0591	28.1838	AID504891
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytochrome P450 1A1	Homo sapiens (human)	IC50 (µMol)	7.9060	0.0079	1.2478	9.9000	AID502474
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	1.4910	0.0001	1.7740	10.0000	AID502473
Serine/threonine-protein kinase pim-1	Homo sapiens (human)	IC50 (µMol)	107.0000	0.0004	0.8871	10.0000	AID1798717; AID311148
4-hydroxyphenylpyruvate dioxygenase	Arabidopsis thaliana (thale cress)	IC50 (µMol)	73.0000	0.0700	0.1600	0.2500	AID1480423
Cytochrome P450 1B1	Homo sapiens (human)	IC50 (µMol)	1.6790	0.0013	0.8696	9.9000	AID502475
Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)	IC50 (µMol)	36.7300	0.7000	4.5804	9.4500	AID1803325
Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)	IC50 (µMol)	36.7300	0.0005	3.4984	9.7600	AID1803325
M-phase inducer phosphatase 2	Homo sapiens (human)	IC50 (µMol)	36.7300	0.1000	2.3103	9.5100	AID1803325
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cellular response to organic cyclic compound	Cytochrome P450 1A1	Homo sapiens (human)
response to hypoxia	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 1A1	Homo sapiens (human)
fatty acid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
steroid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
amine metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to nematode	Cytochrome P450 1A1	Homo sapiens (human)
response to herbicide	Cytochrome P450 1A1	Homo sapiens (human)
ethylene metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
flavonoid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to iron(III) ion	Cytochrome P450 1A1	Homo sapiens (human)
insecticide metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
dibenzo-p-dioxin catabolic process	Cytochrome P450 1A1	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A1	Homo sapiens (human)
response to food	Cytochrome P450 1A1	Homo sapiens (human)
response to lipopolysaccharide	Cytochrome P450 1A1	Homo sapiens (human)
response to vitamin A	Cytochrome P450 1A1	Homo sapiens (human)
response to immobilization stress	Cytochrome P450 1A1	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
9-cis-retinoic acid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
camera-type eye development	Cytochrome P450 1A1	Homo sapiens (human)
nitric oxide metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to arsenic-containing substance	Cytochrome P450 1A1	Homo sapiens (human)
digestive tract development	Cytochrome P450 1A1	Homo sapiens (human)
tissue remodeling	Cytochrome P450 1A1	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
response to hyperoxia	Cytochrome P450 1A1	Homo sapiens (human)
maternal process involved in parturition	Cytochrome P450 1A1	Homo sapiens (human)
hepatocyte differentiation	Cytochrome P450 1A1	Homo sapiens (human)
cellular response to copper ion	Cytochrome P450 1A1	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A1	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	Cytochrome P450 1A1	Homo sapiens (human)
response to 3-methylcholanthrene	Cytochrome P450 1A1	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
protein phosphorylation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
apoptotic process	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
regulation of transmembrane transporter activity	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
negative regulation of apoptotic process	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
negative regulation of DNA-binding transcription factor activity	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
negative regulation of innate immune response	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
positive regulation of DNA-templated transcription	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
protein autophosphorylation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
protein stabilization	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
positive regulation of cardiac muscle cell proliferation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
vitamin D receptor signaling pathway	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
cellular response to type II interferon	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
positive regulation of brown fat cell differentiation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
regulation of hematopoietic stem cell proliferation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
positive regulation of TORC1 signaling	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
positive regulation of cardioblast proliferation	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
cellular detoxification	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
renal water homeostasis	Guanine nucleotide-binding protein G	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Guanine nucleotide-binding protein G	Homo sapiens (human)
regulation of insulin secretion	Guanine nucleotide-binding protein G	Homo sapiens (human)
cellular response to glucagon stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
tyrosine catabolic process	4-hydroxyphenylpyruvate dioxygenase	Arabidopsis thaliana (thale cress)
cellular response to organic cyclic compound	Cytochrome P450 1B1	Homo sapiens (human)
angiogenesis	Cytochrome P450 1B1	Homo sapiens (human)
trabecular meshwork development	Cytochrome P450 1B1	Homo sapiens (human)
DNA modification	Cytochrome P450 1B1	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
nitric oxide biosynthetic process	Cytochrome P450 1B1	Homo sapiens (human)
cell adhesion	Cytochrome P450 1B1	Homo sapiens (human)
response to nutrient	Cytochrome P450 1B1	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell population proliferation	Cytochrome P450 1B1	Homo sapiens (human)
male gonad development	Cytochrome P450 1B1	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to oxidative stress	Cytochrome P450 1B1	Homo sapiens (human)
toxin metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of smooth muscle cell migration	Cytochrome P450 1B1	Homo sapiens (human)
sterol metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1B1	Homo sapiens (human)
collagen fibril organization	Cytochrome P450 1B1	Homo sapiens (human)
adrenal gland development	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell migration	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of NF-kappaB transcription factor activity	Cytochrome P450 1B1	Homo sapiens (human)
response to follicle-stimulating hormone	Cytochrome P450 1B1	Homo sapiens (human)
response to estradiol	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell adhesion mediated by integrin	Cytochrome P450 1B1	Homo sapiens (human)
benzene-containing compound metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
retinal metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of apoptotic process	Cytochrome P450 1B1	Homo sapiens (human)
blood vessel endothelial cell migration	Cytochrome P450 1B1	Homo sapiens (human)
endothelial cell migration	Cytochrome P450 1B1	Homo sapiens (human)
estrous cycle	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of translation	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of angiogenesis	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of receptor signaling pathway via JAK-STAT	Cytochrome P450 1B1	Homo sapiens (human)
membrane lipid catabolic process	Cytochrome P450 1B1	Homo sapiens (human)
response to arsenic-containing substance	Cytochrome P450 1B1	Homo sapiens (human)
blood vessel morphogenesis	Cytochrome P450 1B1	Homo sapiens (human)
retinal blood vessel morphogenesis	Cytochrome P450 1B1	Homo sapiens (human)
ganglion development	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to hydrogen peroxide	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to cAMP	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to tumor necrosis factor	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to luteinizing hormone stimulus	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to cortisol stimulus	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to progesterone stimulus	Cytochrome P450 1B1	Homo sapiens (human)
response to dexamethasone	Cytochrome P450 1B1	Homo sapiens (human)
endothelial cell-cell adhesion	Cytochrome P450 1B1	Homo sapiens (human)
response to indole-3-methanol	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to toxic substance	Cytochrome P450 1B1	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1B1	Homo sapiens (human)
response to 3-methylcholanthrene	Cytochrome P450 1B1	Homo sapiens (human)
regulation of reactive oxygen species metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of DNA biosynthetic process	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of cell population proliferation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of tumor necrosis factor-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of lipid storage	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
B cell differentiation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
T cell differentiation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
erythrocyte differentiation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
insulin receptor recycling	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of epidermal growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of tyrosine phosphorylation of STAT protein	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
glucose homeostasis	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of macrophage differentiation	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
positive regulation of gluconeogenesis	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of inflammatory response	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of T cell receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of chemotaxis	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
regulation of type II interferon-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of type II interferon-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of type I interferon-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of interleukin-6-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of ERK1 and ERK2 cascade	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
regulation of hepatocyte growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of interleukin-2-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of interleukin-4-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of macrophage colony-stimulating factor signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of positive thymic T cell selection	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
positive regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
positive regulation of PERK-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of platelet-derived growth factor receptor-beta signaling pathway	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
negative regulation of receptor signaling pathway via JAK-STAT	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
positive regulation of JUN kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein dephosphorylation	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of signal transduction	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of signal transduction	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
actin cytoskeleton organization	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of endocytosis	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of vascular endothelial growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of intracellular protein transport	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cellular response to unfolded protein	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
platelet-derived growth factor receptor-beta signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
IRE1-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor recycling	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of MAP kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of type I interferon-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
growth hormone receptor signaling pathway via JAK-STAT	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of protein tyrosine kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of ERK1 and ERK2 cascade	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of hepatocyte growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of IRE1-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of PERK-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of receptor catabolic process	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
G2/M transition of mitotic cell cycle	M-phase inducer phosphatase 2	Homo sapiens (human)
mitotic cell cycle	M-phase inducer phosphatase 2	Homo sapiens (human)
oocyte maturation	M-phase inducer phosphatase 2	Homo sapiens (human)
protein phosphorylation	M-phase inducer phosphatase 2	Homo sapiens (human)
female meiosis I	M-phase inducer phosphatase 2	Homo sapiens (human)
positive regulation of cell population proliferation	M-phase inducer phosphatase 2	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	M-phase inducer phosphatase 2	Homo sapiens (human)
positive regulation of cytokinesis	M-phase inducer phosphatase 2	Homo sapiens (human)
positive regulation of mitotic cell cycle	M-phase inducer phosphatase 2	Homo sapiens (human)
cell division	M-phase inducer phosphatase 2	Homo sapiens (human)
positive regulation of G2/MI transition of meiotic cell cycle	M-phase inducer phosphatase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A1	Homo sapiens (human)
protein binding	Cytochrome P450 1A1	Homo sapiens (human)
arachidonic acid monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxidoreductase activity, acting on diphenols and related substances as donors	Cytochrome P450 1A1	Homo sapiens (human)
flavonoid 3'-monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxygen binding	Cytochrome P450 1A1	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A1	Homo sapiens (human)
heme binding	Cytochrome P450 1A1	Homo sapiens (human)
Hsp70 protein binding	Cytochrome P450 1A1	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A1	Homo sapiens (human)
Hsp90 protein binding	Cytochrome P450 1A1	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A1	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid omega-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
protein serine/threonine kinase activity	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
protein binding	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
ATP binding	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
transcription factor binding	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
manganese ion binding	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
ribosomal small subunit binding	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
protein serine kinase activity	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
G protein activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
adenylate cyclase activator activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
4-hydroxyphenylpyruvate dioxygenase activity	4-hydroxyphenylpyruvate dioxygenase	Arabidopsis thaliana (thale cress)
monooxygenase activity	Cytochrome P450 1B1	Homo sapiens (human)
iron ion binding	Cytochrome P450 1B1	Homo sapiens (human)
protein binding	Cytochrome P450 1B1	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1B1	Homo sapiens (human)
heme binding	Cytochrome P450 1B1	Homo sapiens (human)
aromatase activity	Cytochrome P450 1B1	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1B1	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1B1	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1B1	Homo sapiens (human)
protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
integrin binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
protein binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
protein kinase binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
syntaxin binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
receptor tyrosine kinase binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
STAT family protein binding	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
non-membrane spanning protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
RNA binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
zinc ion binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
enzyme binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein kinase binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
receptor tyrosine kinase binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cadherin binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
ephrin receptor binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein phosphatase 2A binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
non-membrane spanning protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
phosphoprotein phosphatase activity	M-phase inducer phosphatase 2	Homo sapiens (human)
protein tyrosine phosphatase activity	M-phase inducer phosphatase 2	Homo sapiens (human)
protein binding	M-phase inducer phosphatase 2	Homo sapiens (human)
protein kinase binding	M-phase inducer phosphatase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
mitochondrial inner membrane	Cytochrome P450 1A1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1A1	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
nucleus	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
nucleoplasm	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
nucleolus	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
cytoplasm	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
cytosol	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
plasma membrane	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
cytoplasm	Serine/threonine-protein kinase pim-1	Homo sapiens (human)
plasma membrane	Guanine nucleotide-binding protein G	Homo sapiens (human)
mitochondrion	Cytochrome P450 1B1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1B1	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1B1	Homo sapiens (human)
plasma membrane	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
nucleoplasm	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
endoplasmic reticulum	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
endoplasmic reticulum-Golgi intermediate compartment	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
cytosol	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
endosome lumen	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
cytoplasm	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
nucleus	Tyrosine-protein phosphatase non-receptor type 2	Homo sapiens (human)
plasma membrane	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasm	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
mitochondrial matrix	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
early endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytosol	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
mitochondrial crista	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endosome lumen	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
sorting endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasmic side of endoplasmic reticulum membrane	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein-containing complex	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasm	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
early endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
spindle pole	M-phase inducer phosphatase 2	Homo sapiens (human)
nucleoplasm	M-phase inducer phosphatase 2	Homo sapiens (human)
centrosome	M-phase inducer phosphatase 2	Homo sapiens (human)
cytosol	M-phase inducer phosphatase 2	Homo sapiens (human)
nucleus	M-phase inducer phosphatase 2	Homo sapiens (human)
cytoplasm	M-phase inducer phosphatase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (176)

Assay ID	Title	Year	Journal	Article
AID1625187	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucoside as substrate by colorimetric assay	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	α-Glucosidase Inhibitory Flavonoids and Oxepinones from the Leaf and Twig Extracts of Desmos cochinchinensis.
AID423363	Antimicrobial activity against vancomycin-resistant Enterococcus faecalis after 20 hrs by broth microdilution method	2009	Journal of natural products, Apr, Volume: 72, Issue:4	Screening of flavonoids as candidate antibiotics against Enterococcus faecalis.
AID334445	Chemopreventive activity in Syrian hamster embryo cells assessed as inhibition of metabolism of [3H]benzo(a)pyrene to water-soluble metabolites after 24 hrs at 10 ug/ml relative to control	1992	Journal of natural products, Mar, Volume: 55, Issue:3	Isolation of potential cancer chemopreventive agents from Eriodictyon californicum.
AID426210	Cytotoxicity against human SW1353 cells by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID1264966	Cytotoxicity against human MSC assessed as cell viability at 5 uM treated for 3 days measured on day 4 by alamar blue assay (Rvb = 100 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID470664	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID426207	Cytotoxicity against african green monkey Vero cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID1103946	Antifeedant activity against third-instar Spodoptera frugiperda (fall armyworm) measured at 10 ug/cm2 leaf disk after 3 to 4 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID469799	Estrogenic activity in human T47D cells assessed as drug level causing stimulation of cell proliferation equivalent to 10 pM estradiol after 96 hrs by alamar blue assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID642356	Inhibition of Dengue virus 2 NS5 polymerase-mediated RNA synthesis expressed in Escherichia coli Rosetta pLac1 cells assessed as [3H]GTP incorporation after 5 mins by scintillation counting	2011	Journal of natural products, Nov-28, Volume: 74, Issue:11	Alkylated flavanones from the bark of Cryptocarya chartacea as dengue virus NS5 polymerase inhibitors.
AID334279	Antiproliferative activity against mouse 26-L5 cells after 72 hrs by MTT assay	2002	Journal of natural products, May, Volume: 65, Issue:5	Constituents of Chinese propolis and their antiproliferative activities.
AID1714000	Cytotoxicity against mouse B16-F10 cells assessed as reduction in cell viability incubated for 72 hrs by XTT assay
AID658443	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of EtBr-mediated antibacterial activity measuring fractional inhibitory concentration index at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID470662	Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID658442	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of rifampicin-mediated antibacterial activity measuring ratio of rifampicin MIC to rifampicin and compound MIC at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1103942	Antifeedant activity against third-instar Xanthogaleruca luteola assessed per cm2 leaf disk after 24 hr by leaf-disk choice test	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID638541	Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysis	2012	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1	Methylenebissantin: a rare methylene-bridged bisflavonoid from Dodonaea viscosa which inhibits Plasmodium falciparum enoyl-ACP reductase.
AID1558363	Antiviral activity against Zika virus PRVABC59 Puerto Rico infected in human JEG3 cells after 24 hrs by plaque assay	2020	Journal of medicinal chemistry, 01-23, Volume: 63, Issue:2	Drugs for the Treatment of Zika Virus Infection.
AID1103941	Antifeedant activity against third-instar Spodoptera frugiperda (fall armyworm) assessed per cm2 leaf disk after 3 to 4 hr by leaf-disk choice test	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID1264964	Cytotoxicity against human MSC assessed as cell viability at 10 uM after 24 hrs measured on day 1 by alamar blue assay (Rvb = 102 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID265722	Inhibition of dengue2 virus NS2B/NS3 protease activity for Boc-Gly-Arg-Arg-MCA cleavage at 400 ppm	2006	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 16, Issue:12	Inhibitory activity of cyclohexenyl chalcone derivatives and flavonoids of fingerroot, Boesenbergia rotunda (L.), towards dengue-2 virus NS3 protease.
AID358173	Inhibition of p40 tyrosine kinase	1992	Journal of natural products, Nov, Volume: 55, Issue:11	Protein-tyrosine kinase inhibition: mechanism-based discovery of antitumor agents.
AID423365	Binding affinity to Enterococcus faecalis KAS3 by fluorescence quenching analysis	2009	Journal of natural products, Apr, Volume: 72, Issue:4	Screening of flavonoids as candidate antibiotics against Enterococcus faecalis.
AID658581	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as EtBr accumulation measuring relative fluorescence at half the MIC measured for 60 mins by spectrophotometry relative to control	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID334277	Antiproliferative activity against human A549 cells after 72 hrs by MTT assay	2002	Journal of natural products, May, Volume: 65, Issue:5	Constituents of Chinese propolis and their antiproliferative activities.
AID658589	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of EtBr-mediated antibacterial activity measuring reduction in MIC at 1/2 of MIC after 72 hrs by MTT assay relative to control	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID431869	Effect on AhR-mediated NAPDH quinine reductase activation in mouse Hepa1c1c12 cells at 20 uM after 18 hrs by Western blot analysis	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.
AID265721	Inhibition of dengue2 virus NS2B/NS3 protease activity for Boc-Gly-Arg-Arg-MCA cleavage at 240 ppm	2006	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 16, Issue:12	Inhibitory activity of cyclohexenyl chalcone derivatives and flavonoids of fingerroot, Boesenbergia rotunda (L.), towards dengue-2 virus NS3 protease.
AID423636	Cytotoxicity against human HeLa cells by MTT assay	2009	Journal of natural products, Apr, Volume: 72, Issue:4	Cytotoxic constituents of chinese propolis.
AID449985	Induction of DR5 receptor promotor activity in human DLD1 cells co-transfected with Sac1 at 43.9 uM after 24 hrs by luciferase assay	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Death receptor 5 promoter-enhancing compounds isolated from Catimbium speciosum and their enhancement effect on TRAIL-induced apoptosis.
AID1103952	Antifeedant activity against third-instar Xanthogaleruca luteola measured at 10 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID311568	Cytotoxicity against human PANC1 cells assessed as cell viability	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Bioactive secondary metabolites from Boesenbergia pandurata of Myanmar and their preferential cytotoxicity against human pancreatic cancer PANC-1 cell line in nutrient-deprived medium.
AID1558362	Cytotoxicity against human JEG3 cells by alamarBlue assay	2020	Journal of medicinal chemistry, 01-23, Volume: 63, Issue:2	Drugs for the Treatment of Zika Virus Infection.
AID469803	Estrogenic activity in luciferase transfected human MCF7 cells assessed as drug level causing stimulation of cell proliferation equivalent to 10 pM estradiol by luciferase reporter gene assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID404070	In vivo antitumor activity against mouse CA-755 cells
AID470661	Cytotoxicity against human PANC1 cells in nutrient-deprived condition after 24 hrs by WST8 assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID623565	Cytotoxicity against human HT-29 cells after 3 days by sulforhodamine B assay	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Bioassay-guided isolation of constituents of Piper sarmentosum using a mitochondrial transmembrane potential assay.
AID1439488	Cysticidal activity against Taenia crassiceps cysts after 11 days by trypan blue exclusion method	2017	European journal of medicinal chemistry, Mar-31, Volume: 129	Medicinal plants used as anthelmintics: Ethnomedical, pharmacological, and phytochemical studies.
AID1103955	Antifeedant activity against third-instar Epilachna paenulata measured at 100 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID1264970	Cytotoxicity against human MSC assessed as cell viability at 10 uM treated for 6 days measured on day 7 by alamar blue assay (Rvb = 98%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID658437	Antibacterial activity against Mycobacterium smegmatis mc2 155 after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1103956	Antifeedant activity against third-instar Epilachna paenulata measured at 50 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID404067	In vivo antitumor activity against mouse S180 cells
AID1648011	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as reduction in parasite growth at 40 uM incubated for 72 hrs by DAPI staining based fluorescence assay	2020	Journal of natural products, 02-28, Volume: 83, Issue:2	A Meroisoprenoid, Heptenolides, and
AID1264967	Cytotoxicity against human MSC assessed as cell viability at 10 uM treated for 3 days measured on day 4 by alamar blue assay (Rvb = 100 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID470665	Cytotoxicity against mouse Colon 26-L5 cells after 72 hrs by MTT assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1264949	Cytotoxicity against human MSC assessed as decrease in cell number at 1 to 10 uM after 9 days by methylene blue staining based microscopy relative to control	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID334275	Antiproliferative activity against mouse B16-BL6 cells after 72 hrs by MTT assay	2002	Journal of natural products, May, Volume: 65, Issue:5	Constituents of Chinese propolis and their antiproliferative activities.
AID402477	Inhibition of recombinant human TNF-alpha-induced cytotoxicity of mouse L929 cells assessed as survivality at 250 uM preincubated for 15 mins before TNFalpha addition measured after 24 hrs by crystal violet staining	1997	Journal of natural products, Aug, Volume: 60, Issue:8	Flavonoids as inhibitors or enhancers of the cytotoxicity of tumor necrosis factor-alpha in L-929 tumor cells.
AID469804	Estrogenic activity in luciferase transfected human MCF7 cells assessed as drug level causing stimulation of cell proliferation equivalent to 100 pM estradiol by luciferase reporter gene assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID423362	Antimicrobial activity against Enterococcus faecalis after 20 hrs by broth microdilution method	2009	Journal of natural products, Apr, Volume: 72, Issue:4	Screening of flavonoids as candidate antibiotics against Enterococcus faecalis.
AID756489	Cytotoxicity against mouse RAW264.7 cells by CCK assay	2013	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14	Inhibitory constituents of the heartwood of Dalbergia odorifera on nitric oxide production in RAW 264.7 macrophages.
AID1103945	Antifeedant activity against third-instar Spodoptera frugiperda (fall armyworm) measured at 50 ug/cm2 leaf disk after 3 to 4 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID1103958	Antifeedant activity against third-instar Epilachna paenulata measured at 5 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID431870	Induction of nuclear translocation of AhR from cytosol in mouse Hepa1 cells at 20 uM after 60 mins using DAPI staining by microscopic analysis	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.
AID469800	Estrogenic activity in human MCF7 cells assessed as drug level causing stimulation of cell proliferation equivalent to 100 pM estradiol after 96 hrs by alamar blue assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID1264947	Induction of osteogenic differentiation in human MSC assessed as increase in ALP activity at 10 uM using p-NPP as substrate after 9 days by colorimetric method relative to control	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID658444	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of rifampicin-mediated antibacterial activity measuring fractional inhibitory concentration index at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1264946	Induction of osteogenic differentiation in human MSC assessed as increase in ALP activity at 5 uM using p-NPP as substrate after 9 days by colorimetric method relative to control	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID1264968	Cytotoxicity against human MSC assessed as cell viability at 1 uM treated for 6 days measured on day 7 by alamar blue assay (Rvb = 98%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID1480423	Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli JM105 using HPPA as substrate after preincubated for 15 min followed by substrate addition by HPLC analysis	2017	Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10	4-Hydroxyphenylpyruvate Dioxygenase and Its Inhibition in Plants and Animals: Small Molecules as Herbicides and Agents for the Treatment of Human Inherited Diseases.
AID1713991	Inhibition of monophenolase activity of mushroom tyrosinase using L-Tyrosine substrate incubated for 5 mins followed by substrate addition and measured for 30 mins by colorimetry
AID1103950	Antifeedant activity against third-instar Xanthogaleruca luteola measured at 100 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID697852	Inhibition of electric eel AChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID658441	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of isoniazid-mediated antibacterial activity measuring ratio of isoniazid MIC to isoniazid and compound MIC at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID426214	Cytotoxicity against human KB cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID334278	Antiproliferative activity against human HeLa cells after 72 hrs by MTT assay	2002	Journal of natural products, May, Volume: 65, Issue:5	Constituents of Chinese propolis and their antiproliferative activities.
AID470663	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID431868	Effect on AhR-mediated CYP1A1 activation in mouse Hepa1c1c12 cells at 20 uM after 18 hrs by Western blot analysis	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.
AID469806	Estrogenic activity in luciferase transfected human T47D cells assessed as drug level causing stimulation of cell proliferation equivalent to 100 pM estradiol by luciferase reporter gene assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID426212	Cytotoxicity against human HepG2 cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID469805	Estrogenic activity in luciferase transfected human T47D cells assessed as drug level causing stimulation of cell proliferation equivalent to 10 pM estradiol by luciferase reporter gene assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID426208	Cytotoxicity against pig LLC-PK11 cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID431863	Induction of mouse AhR LBD transcriptional activity in mouse hepa1 cells transfected with AhR response element co expressed with XRE after 6 hrs by luciferase reporter gene assay relative to control	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.
AID311148	Inhibition of PIM1 kinase	2007	Bioorganic & medicinal chemistry, Oct-01, Volume: 15, Issue:19	Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase.
AID1264962	Cytotoxicity against human MSC assessed as cell viability at 1 uM measured on day 1 by alamar blue assay (Rvb = 102 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID426213	Cytotoxicity against human SK-MEL cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID1103951	Antifeedant activity against third-instar Xanthogaleruca luteola measured at 50 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID1264963	Cytotoxicity against human MSC assessed as cell viability at 5 uM after 24 hrs measured on day 1 by alamar blue assay (Rvb = 102 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID334446	Chemopreventive activity in Syrian hamster embryo cells assessed as inhibition of metabolism of [3H]benzo(a)pyrene to water-soluble metabolites after 24 hrs at 5 ug/ml relative to control	1992	Journal of natural products, Mar, Volume: 55, Issue:3	Isolation of potential cancer chemopreventive agents from Eriodictyon californicum.
AID502473	Inhibition of human CYP1A2 by EROD assay	2010	Bioorganic & medicinal chemistry, Sep-01, Volume: 18, Issue:17	Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
AID713894	Antimycobacterial activity against Mycobacterium tuberculosis H37Ra	2012	European journal of medicinal chemistry, Mar, Volume: 49	Recent advances in antitubercular natural products.
AID333447	Antifungal activity against Cladosporium sphaerospermum assessed as minimum concentration required to inhibit growth after 72 hrs by TLC	2004	Journal of natural products, Nov, Volume: 67, Issue:11	Benzoic acid derivatives from Piper species and their fungitoxic activity against Cladosporium cladosporioides and C. sphaerospermum.
AID1167300	Antioxidant activity assessed as DPPH radical scavenging activity incubated at room temperature for 20 mins by UV-visible spectrophotometry	2014	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 24, Issue:21	Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues.
AID1103957	Antifeedant activity against third-instar Epilachna paenulata measured at 10 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID470666	Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay	2009	Journal of natural products, Sep, Volume: 72, Issue:9	Cytotoxic constituents of Soymida febrifuga from Myanmar.
AID658591	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of ethambutol-mediated antibacterial activity measuring reduction in MIC at 1/2 of MIC after 72 hrs by MTT assay relative to control	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1103954	Antifeedant activity against third-instar Xanthogaleruca luteola measured at 1 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID334276	Antiproliferative activity against human HT1080 cells after 72 hrs by MTT assay	2002	Journal of natural products, May, Volume: 65, Issue:5	Constituents of Chinese propolis and their antiproliferative activities.
AID1103944	Antifeedant activity against third-instar Spodoptera frugiperda (fall armyworm) measured at 100 ug/cm2 leaf disk after 3 to 4 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID469802	Estrogenic activity in human MCF7 cells assessed as drug level causing stimulation of cell proliferation equivalent to 10 pM estradiol after 96 hrs by alamar blue assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID1264965	Cytotoxicity against human MSC assessed as cell viability at 1 uM treated for 3 days measured on day 4 by alamar blue assay (Rvb = 100 +/- 1%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID1103948	Antifeedant activity against third-instar Spodoptera frugiperda (fall armyworm) measured at 5 ug/cm2 leaf disk after 3 to 4 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID336952	Inhibition of bovine thymocytes protein tyrosine kinase assessed as angiotensin 1 phosphorylation
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID756490	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by Griess assay	2013	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 23, Issue:14	Inhibitory constituents of the heartwood of Dalbergia odorifera on nitric oxide production in RAW 264.7 macrophages.
AID658439	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of ciprofloxacin-mediated antibacterial activity measuring ratio of ciprofloxacin MIC to ciprofloxacin and compound MIC at 64 mg/L after 72 hrs by MTT	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID449984	Induction of DR5 receptor promotor activity in human DLD1 cells co-transfected with Sac1 at 39 uM after 24 hrs by luciferase assay	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Death receptor 5 promoter-enhancing compounds isolated from Catimbium speciosum and their enhancement effect on TRAIL-induced apoptosis.
AID480465	Cytotoxicity against human KB cells after 3 days by Resazurin Microplate Assay	2010	Bioorganic & medicinal chemistry letters, May-01, Volume: 20, Issue:9	Cytotoxicity against KB and NCI-H187 cell lines of modified flavonoids from Kaempferia parviflora.
AID334444	Chemopreventive activity in Syrian hamster embryo cells assessed as inhibition of metabolism of [3H]benzo(a)pyrene to water-soluble metabolites after 24 hrs at 20 ug/ml relative to control	1992	Journal of natural products, Mar, Volume: 55, Issue:3	Isolation of potential cancer chemopreventive agents from Eriodictyon californicum.
AID623566	Induction of apoptosis in human HT-29 cells assessed reduction of mitochondrial membrane potential after 2 hrs by using JC1 staining by fluorescence cell-based assay	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Bioassay-guided isolation of constituents of Piper sarmentosum using a mitochondrial transmembrane potential assay.
AID1264945	Induction of osteogenic differentiation in human MSC assessed as increase in ALP activity at 1 uM using p-NPP as substrate after 9 days by colorimetric method relative to control	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID426211	Inhibition of SP1-dependent luciferase expression	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID658440	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of ethambutol-mediated antibacterial activity measuring ratio of ethambutol MIC to ethambutol and compound MIC at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1742984	Cytotoxicity against Sprague-Dawley rat primary cerebellar granule neurons assessed as reduction in cell viability measured after 48 hrs by MTT assay	2020	European journal of medicinal chemistry, Nov-15, Volume: 206	Neuroprotective effects of prenylated flavanones isolated from Dalea species, in vitro and in silico studies.
AID1648012	Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 assessed as reduction in parasite growth at 40 uM incubated for 72 hrs by DAPI staining based fluorescence assay	2020	Journal of natural products, 02-28, Volume: 83, Issue:2	A Meroisoprenoid, Heptenolides, and
AID469801	Estrogenic activity in human T47D cells assessed as drug level causing stimulation of cell proliferation equivalent to 100 pM estradiol after 96 hrs by alamar blue assay	2009	Journal of natural products, Dec, Volume: 72, Issue:12	Flavonoids from the heartwood of the Thai medicinal plant Dalbergia parviflora and their effects on estrogenic-responsive human breast cancer cells.
AID426216	Cytotoxicity against human SKOV3 cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID1666593	Induction of DNA damage in human SU8686 cells assessed as increase in gammaH2AX phosphorylation at ser193 at cytotoxic IC50 incubated for 24 hrs by fluorometry method	2020	Bioorganic & medicinal chemistry, 02-15, Volume: 28, Issue:4	Targeting the DNA damage response (DDR) by natural compounds.
AID456268	Antiallergic activity in Ca(2+)-stimulated differentiated human HeLa cells assessed as inhibition of cys-leukotriene release after 6 days by ELISA	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Inhibitory activity of Brazilian green propolis components and their derivatives on the release of cys-leukotrienes.
AID265719	Inhibition of dengue2 virus NS2B/NS3 protease activity for Boc-Gly-Arg-Arg-MCA cleavage at 120 ppm	2006	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 16, Issue:12	Inhibitory activity of cyclohexenyl chalcone derivatives and flavonoids of fingerroot, Boesenbergia rotunda (L.), towards dengue-2 virus NS3 protease.
AID333446	Antifungal activity against Cladosporium cladosporioides assessed as minimum concentration required to inhibit growth after 72 hrs by TLC	2004	Journal of natural products, Nov, Volume: 67, Issue:11	Benzoic acid derivatives from Piper species and their fungitoxic activity against Cladosporium cladosporioides and C. sphaerospermum.
AID477928	Cytotoxicity against human PANC1 cells in nutrient-deprived condition assessed as preferential cell death after 24 hrs by trypan blue dye exclusion method	2010	Journal of natural products, Apr-23, Volume: 73, Issue:4	Study on the constituents of Mexican propolis and their cytotoxic activity against PANC-1 human pancreatic cancer cells.
AID1625186	Inhibition of Saccharomyces cerevisiae alpha-glucosidase at 200 ug/mL using p-nitrophenyl alpha-D-glucoside as substrate by colorimetric assay	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	α-Glucosidase Inhibitory Flavonoids and Oxepinones from the Leaf and Twig Extracts of Desmos cochinchinensis.
AID1264969	Cytotoxicity against human MSC assessed as cell viability at 5 uM treated for 6 days measured on day 7 by alamar blue assay (Rvb = 98%)	2015	Journal of natural products, Nov-25, Volume: 78, Issue:11	Defining Key Structural Determinants for the Pro-osteogenic Activity of Flavonoids.
AID642358	Growth inhibition of human KB cells at 10 ug/ml	2011	Journal of natural products, Nov-28, Volume: 74, Issue:11	Alkylated flavanones from the bark of Cryptocarya chartacea as dengue virus NS5 polymerase inhibitors.
AID623567	Inhibition of chymotrypsin-like activity of purified human 20S proteasome in HL60 cells using N-succinyl-Leu-Leu-Val-Tyr-AMC as substrate pre-incubated for 10 mins by fluorimetric assay	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Bioassay-guided isolation of constituents of Piper sarmentosum using a mitochondrial transmembrane potential assay.
AID404069	In vivo antitumor activity against mouse L1210 cells
AID1103959	Antifeedant activity against third-instar Epilachna paenulata measured at 1 ug/cm2 leaf disk after 24 hr by leaf disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID402478	Inhibition of recombinant human TNF-alpha-induced cytotoxicity of mouse L929 cells assessed as survivality at 250 uM after 15 mins by [methyl-3H]thymidine incorporation assay	1997	Journal of natural products, Aug, Volume: 60, Issue:8	Flavonoids as inhibitors or enhancers of the cytotoxicity of tumor necrosis factor-alpha in L-929 tumor cells.
AID502475	Inhibition of human CYP1B1 by EROD assay	2010	Bioorganic & medicinal chemistry, Sep-01, Volume: 18, Issue:17	Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
AID697853	Inhibition of horse BChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID1714005	Inhibition of melanin production in mouse B16-F10 cells at 12.5 ug/ml relative to control
AID1103943	Antifeedant activity against third-instar Epilachna paenulata measured assessed per cm2 leaf disk after 24 hr by leaf disk choice test	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID658586	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as inhibition of EtBr efflux measuring normalized fluorescence at half the MIC measured for 60 mins by spectrophotometry relative to control	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID658438	Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of EtBr-mediated antibacterial activity measuring ratio of EtBr MIC to EtBr and compound MIC at 64 mg/L after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID480467	Cytotoxicity against human NCI-H187 cells after 5 days by Resazurin Microplate Assay	2010	Bioorganic & medicinal chemistry letters, May-01, Volume: 20, Issue:9	Cytotoxicity against KB and NCI-H187 cell lines of modified flavonoids from Kaempferia parviflora.
AID1742988	Neuroprotective activity against H2O2-induced neuronal death in Sprague-Dawley rat primary cerebellar granule neurons assessed as increase in cell viability at 0.5 to 300 uM preincubated for 24 hrs followed by H2O2 addition and measured after 24 hrs by MT	2020	European journal of medicinal chemistry, Nov-15, Volume: 206	Neuroprotective effects of prenylated flavanones isolated from Dalea species, in vitro and in silico studies.
AID426215	Cytotoxicity against human BT549 cells upto 50 uM by neutral red assay	2009	Journal of natural products, Jun, Volume: 72, Issue:6	Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.
AID1103953	Antifeedant activity against third-instar Xanthogaleruca luteola measured at 5 ug/cm2 leaf disk after 24 hr by leaf-disk choice test relative to control	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID353303	Increase in EGR1 mRNA expression in human HEK293 cells at 20 ug/mL after 6 to 12 hrs by dual-glo luciferase assay relative to control	2009	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 19, Issue:8	Relationships between the structures of flavanone derivatives and their effects in enhancing early growth response-1 gene expression.
AID502474	Inhibition of human CYP1A1 by EROD assay	2010	Bioorganic & medicinal chemistry, Sep-01, Volume: 18, Issue:17	Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1798717	Solid-Phase ELISA Kinase Assay from Article 10.1158/1535-7163.MCT-06-0397: \\Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.\\	2007	Molecular cancer therapeutics, Jan, Volume: 6, Issue:1	Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1331857	Antimicrobial activity against Staphylococcus aureus ATCC 29213 at 20 ug/ml by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331844	Antimicrobial activity against Candida glabrata ATCC 90030 after 46 to 50 hrs by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331862	Cytotoxicity against human SK-MEL cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1434690	Inhibition of sucrose loaded POPC/POPE/POPS/PtdIns(3,4,5)P3 (59:20:20:1) liposome binding to eGFP-fused PDK1 PH domain (unknown origin) expressed in Escherichia coli BL21 at 20 uM after 10 mins by fluorescence spectrophotometry based pull down assay relat	2017	Bioorganic & medicinal chemistry letters, 02-01, Volume: 27, Issue:3	Inhibitory potential of flavonoids on PtdIns(3,4,5)P3 binding with the phosphoinositide-dependent kinase 1 pleckstrin homology domain.
AID1331864	Cytotoxicity against human BT549 cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331865	Cytotoxicity against human SKOV3 cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331860	Antimicrobial activity against methicillin-resistant Staphylococcus aureus ATCC 33591 at 20 ug/ml by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331847	Antimicrobial activity against Candida krusei ATCC 6258 after 46 to 50 hrs by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331853	Antimicrobial activity against Cryptococcus neoformans ATCC 90113 after 70 to 74 hrs by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331843	Antimicrobial activity against Candida albicans ATCC 90028 at 20 ug/ml after 46 to 50 hrs by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331867	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331863	Cytotoxicity against human KB cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331866	Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331851	Antimicrobial activity against Aspergillus fumigatus ATCC 204305 at 20 ug/ml after 46 to 50 hrs by broth microdilution method	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1331868	Cytotoxicity against pig LLC-PK1 cells assessed as reduction in cell viability after 48 hrs by neutral red dye-based assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Bioactive Formylated Flavonoids from Eugenia rigida: Isolation, Synthesis, and X-ray Crystallography.
AID1803325	Enzymatic Assay from Article 10.3109/14756366.2012.723206: \\Synthesis and characterization of 5,7-dihydroxyflavanone derivatives as novel protein tyrosine phosphatase 1B inhibitors.\\	2013	Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 28, Issue:6	Synthesis and characterization of 5,7-dihydroxyflavanone derivatives as novel protein tyrosine phosphatase 1B inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (0.42)	18.7374
1990's	6 (2.53)	18.2507
2000's	34 (14.35)	29.6817
2010's	139 (58.65)	24.3611
2020's	57 (24.05)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	1 (0.41%)	5.53%
Trials	0 (0.00%)	5.53%
Reviews	16 (6.58%)	6.00%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Observational	0 (0.00%)	0.25%
Other	226 (93.00%)	84.16%
Other	8 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
taxifolin	[no description available]	medium	2	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
flavanone	[no description available]	medium	4	flavanones
hesperidin	[no description available]	medium	3	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
flavone	[no description available]	medium	5	flavones	metabolite; nematicide
3-hydroxyflavone	[no description available]	medium	2	flavonols; monohydroxyflavone
quercetin pentaacetate	[no description available]	medium	1
tangeretin	[no description available]	medium	2	pentamethoxyflavone	antineoplastic agent; plant metabolite
5-hydroxyflavone	[no description available]	medium	1	flavones
6-hydroxyflavone	[no description available]	medium	1	hydroxyflavonoid
hesperetin	[no description available]	medium	7	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
isoflavone	[no description available]	medium	1	isoflavones
nobiletin	[no description available]	medium	1	methoxyflavone	antineoplastic agent; plant metabolite
4',5,6,7-tetramethoxyflavone	[no description available]	medium	1	tetramethoxyflavone	antimutagen; plant metabolite
quercetin 5,7,3',4'-tetramethyl ether	[no description available]	medium	1	flavonols; tetramethoxyflavone	plant metabolite
3,5,7,3',4'-pentamethoxyflavone	[no description available]	medium	1
6-methoxyflavanone	[no description available]	medium	2
4'-methoxyflavanone	[no description available]	medium	2	4'-methoxyflavanones
4'-hydroxyflavone	[no description available]	medium	2
nsc 36398	[no description available]	medium	1
2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	[no description available]	medium	1	monohydroxyflavone; trimethoxyflavone
7-Acetoxy-2-methylisoflavone	[no description available]	medium	1	isoflavones
Poriol	[no description available]	medium	1	flavanones
sakuranetin	[no description available]	medium	2
naringenin	[no description available]	medium	18	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
flavoxate hydrochloride	[no description available]	medium	1	hydrochloride	antispasmodic drug; muscarinic antagonist; parasympatholytic
quercetin	[no description available]	medium	17	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
biochanin a	[no description available]	medium	5	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin	[no description available]	medium	4	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
acacetin	[no description available]	medium	7	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
apigenin	[no description available]	medium	18	trihydroxyflavone	antineoplastic agent; metabolite
quercetin 3-o-methyl ether	[no description available]	medium	1	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite
apigetrin	[no description available]	medium	1	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
quercetin 3-o-glucopyranoside	[no description available]	medium	2	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin	[no description available]	medium	5	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
genistein	[no description available]	medium	7	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
apigenin dimethylether	[no description available]	medium	2	dimethoxyflavone; monohydroxyflavone	plant metabolite
chrysin	[no description available]	medium	29	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
fisetin	[no description available]	medium	7	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	26	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
hispidulin	[no description available]	medium	2	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
kaempferide	[no description available]	medium	5	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite
morin	[no description available]	medium	5	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	11	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
myricitrin	[no description available]	medium	1	alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
norwogonin	[no description available]	medium	1	trihydroxyflavone	antioxidant; metabolite
orientin	[no description available]	medium	1	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite
pachypodol	[no description available]	medium	1	dihydroxyflavone; trimethoxyflavone	antiemetic; plant metabolite
rhamnetin	[no description available]	medium	3	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite
robinetin	[no description available]	medium	3	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
psi-baptigenin	[no description available]	medium	1	7-hydroxyisoflavones; benzodioxoles	antiprotozoal drug; plant metabolite
7-hydroxyflavone	[no description available]	medium	5	hydroxyflavonoid
tectochrysin	[no description available]	medium	9	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite
quercimeritrin	[no description available]	medium	1	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite
centaureidin	[no description available]	medium	1	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone	[no description available]	medium	1	dihydroxyflavone; dimethoxyflavone	plant metabolite
ermanin	[no description available]	medium	2	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite
5-hydroxy-3,3',4',7-tetramethoxyflavone	[no description available]	medium	1	3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone	plant metabolite
3',4',5'-O-trimethyltricetin	[no description available]	medium	1	3',5'-dimethoxyflavone; dihydroxyflavone; trimethoxyflavone
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	[no description available]	medium	1	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
7-Hydroxy-2-methylisoflavone	[no description available]	medium	1	isoflavones
4-hydroxybenzoic acid	[no description available]	medium	2	monohydroxybenzoic acid	algal metabolite; plant metabolite
7,8-dihydroxyflavone	[no description available]	medium	1	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist
emodin	[no description available]	medium	3	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
lavendustin a	[no description available]	medium	2	aromatic amine
lavendustin b	[no description available]	medium	2
adenosine monophosphate	[no description available]	medium	1	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
1-hydroxyanthraquinone	[no description available]	medium	1	monohydroxyanthraquinone
physcione	[no description available]	medium	1	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite
adenosine 5'-tetraphosphate	[no description available]	medium	1	adenosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate
diadenosine tetraphosphate	[no description available]	medium	1	diadenosyl tetraphosphate	Escherichia coli metabolite; mouse metabolite
staurosporine	[no description available]	medium	3	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
4'-amino-6-hydroxyflavone	[no description available]	medium	1	flavones
(hydroxy-2-naphthalenylmethyl)phosphonic acid	[no description available]	medium	1
5'-(sulfonylbenzoyl)adenosine	[no description available]	medium	1
4',6-dihydroxyflavone	[no description available]	medium	1	dihydroxyflavone
3',4',5'-trimethoxyflavone	[no description available]	medium	1	ether; flavonoids
taxifolin	[no description available]	medium	6	taxifolin	metabolite
ferulic acid	[no description available]	medium	5	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
trans-4-coumaric acid	[no description available]	medium	7	4-coumaric acid	food component; mouse metabolite; plant metabolite
ag-213	[no description available]	medium	1
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	2	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
7,8,3'-trihydroxyflavone	[no description available]	medium	1
(2S)-7-hydroxyflavanone	[no description available]	medium	1	7-hydroxyflavanone
caffeic acid	[no description available]	medium	8	caffeic acid	geroprotector; mouse metabolite
luteolin	[no description available]	medium	9	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
kaempferol	[no description available]	medium	9	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistin	[no description available]	medium	2	7-hydroxyisoflavones 7-O-beta-D-glucoside
genkwanin	[no description available]	medium	1	dihydroxyflavone; monomethoxyflavone	metabolite
daidzein	[no description available]	medium	3	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
orobol	[no description available]	medium	2	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger
prunetin	[no description available]	medium	1	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
syringetin	[no description available]	medium	1	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor
4',7-dihydroxyflavone	[no description available]	medium	1	dihydroxyflavone	metabolite
fustin	[no description available]	medium	2
erbstatin	[no description available]	medium	1
ag 538	[no description available]	medium	1
ag 99	[no description available]	medium	1
tyrphostin ag 555	[no description available]	medium	1
tyrphostin ag-494	[no description available]	medium	1
ag-490	[no description available]	medium	1	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
alpha-cyano-4-hydroxycinnamic acid	[no description available]	medium	1	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material
ag 30	[no description available]	medium	1
ag 112	[no description available]	medium	1
ag 183	[no description available]	medium	1
methyl 2,5-dihydroxycinnamate	[no description available]	medium	1	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite
psi-tectorigenin	[no description available]	medium	1
st 638	[no description available]	medium	1
herbimycin	[no description available]	medium	1
st 271	[no description available]	medium	1
1,2-dihydroxy-4-(nitroethenyl)benzene	[no description available]	medium	1
diguanosine tetraphosphate	[no description available]	medium	1	guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate	Escherichia coli metabolite; mouse metabolite
sakuranetin	[no description available]	medium	2	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone	antimycobacterial drug; plant metabolite
homoeriodictyol	[no description available]	medium	5	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
isosakuranetin	[no description available]	medium	6	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite
cirsimaritin	[no description available]	medium	1	dihydroxyflavone; dimethoxyflavone
eriodictyol	[no description available]	medium	9	3'-hydroxyflavanones; tetrahydroxyflavanone
chrysoeriol	[no description available]	medium	2	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite
7-hydroxyflavanone	[no description available]	medium	3	monohydroxyflavanone
beta-naphthoflavone	[no description available]	medium	1	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
syringic acid	[no description available]	medium	1	benzoic acids; dimethoxybenzene; phenols	plant metabolite
nevadensin	[no description available]	medium	1	dihydroxyflavone; trimethoxyflavone	plant metabolite
6,7,4'-trihydroxyisoflavone	[no description available]	medium	1	7-hydroxyisoflavones	anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist
masoprocol	[no description available]	medium	2	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
epicatechin	[no description available]	medium	3	catechin; polyphenol	antioxidant
fluorouracil	[no description available]	medium	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
pinostrobin	[no description available]	medium	7	monohydroxyflavanone; monomethoxyflavanone	antidote; plant metabolite
doxorubicin hydrochloride	[no description available]	medium	2	anthracycline
3-(3,4-dimethoxyphenyl)propenoic acid	[no description available]	medium	2	methoxycinnamic acid
isoferulic acid	[no description available]	medium	2	ferulic acids	antioxidant; biomarker; metabolite
caffeic acid phenethyl ester	[no description available]	medium	6	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
benzyl caffeate	[no description available]	medium	1
miconazole	[no description available]	medium	1	dichlorobenzene; ether; imidazoles
2',6'-dihydroxy-4'-methoxydihydrochalcone	[no description available]	medium	3	dihydrochalcones; monomethoxybenzene; polyphenol	antiplasmodial drug; radical scavenger
nystatin a1	[no description available]	medium	1	nystatins
4-hydroxypanduratin a	[no description available]	medium	2
cardamonin	[no description available]	medium	8	chalcones
panduratin a	[no description available]	medium	3	diarylheptanoid	metabolite
glabranin	[no description available]	medium	4	(2S)-flavan-4-one; dihydroxyflavanone	plant metabolite
7,8,4'-trihydroxyflavone	[no description available]	medium	2
gossypetin	[no description available]	medium	2	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
3,7,4'-trihydroxyflavone	[no description available]	medium	2	hydroxyflavan
quercetagetin	[no description available]	medium	2	flavonols; hexahydroxyflavone	antioxidant; antiviral agent; plant metabolite
tricetin	[no description available]	medium	3	pentahydroxyflavone	antineoplastic agent; metabolite
3,7-dihydroxyflavone	[no description available]	medium	2	hydroxyflavan
paclitaxel	[no description available]	medium	3	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
arctigenin	[no description available]	medium	1	lignan
5,6-dehydrokawain	[no description available]	medium	4	2-pyranones; aromatic ether
flavokawain C	[no description available]	medium	1	chalcones
isopanduratin a	[no description available]	medium	1
4'-hydroxyflavanone	[no description available]	medium	2	4'-hydroxyflavanones; monohydroxyflavanone
2'-hydroxyflavanone	[no description available]	medium	2
6-hydroxyflavanone	[no description available]	medium	2	monohydroxyflavanone	fungal xenobiotic metabolite
3-hydroxyflavanone	[no description available]	medium	2	3'-hydroxyflavanones; monohydroxyflavanone	metabolite
3-methylquercetin	[no description available]	medium	5	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one	[no description available]	medium	2	ether; flavonoids
6,3',4'-Trimethoxyflavanone	[no description available]	medium	1	ether; flavonoids
alpinetin	[no description available]	medium	3	ether; flavonoids
dihydrorobinetin	[no description available]	medium	2
catechin	[no description available]	medium	1	hydroxyflavan
rotenone	[no description available]	medium	2	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
toosendanin	[no description available]	medium	1	limonoid
5-Hydroxyauranetin	[no description available]	medium	1	ether; flavonoids
palmitic acid	[no description available]	medium	2	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
ursolic acid	[no description available]	medium	3	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
parthenolide	[no description available]	medium	2	germacranolide
sitosterol, (3beta)-isomer	[no description available]	medium	2	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
lupeol	[no description available]	medium	2	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
pomolic acid	[no description available]	medium	2	triterpenoid	metabolite
decursin	[no description available]	medium	1	coumarins
wogonin	[no description available]	medium	3	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	[no description available]	medium	1	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
lyoniside	[no description available]	medium	1	beta-D-glucoside; monosaccharide derivative; steroid saponin	plant metabolite
ascorbic acid	[no description available]	medium	2	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
pterostilbene	[no description available]	medium	1	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
loureirin a	[no description available]	medium	1
3-deoxysappanchalcone	[no description available]	medium	1	chalcones; monomethoxybenzene; phenols	metabolite
2',4'-dihydroxychalcone	[no description available]	medium	2
pinostilbene	[no description available]	medium	1	stilbenol
2,4,2'-trihydroxychalcone	[no description available]	medium	1
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	polychlorinated dibenzodioxine
7-methoxyisoflavone	[no description available]	medium	1	7-methoxyisoflavones
6-methylflavone	[no description available]	medium	1
pinobanksin	[no description available]	medium	3	secondary alpha-hydroxy ketone; trihydroxyflavanone	antimutagen; antioxidant; metabolite
liquiritigenin	[no description available]	medium	2	4',7-dihydroxyflavanone	hormone agonist; plant metabolite
isoliquiritigenin	[no description available]	medium	2	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
7,3'-dihydroxy-4'-methoxyisoflavone	[no description available]	medium	1	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
4'-methoxy-3',5,7-trihydroxyisoflavone	[no description available]	medium	1	4'-methoxyisoflavones; 7-hydroxyisoflavones
tectorigenin	[no description available]	medium	1	7-hydroxyisoflavones; methoxyisoflavone	anti-inflammatory agent; plant metabolite
7,4'-dihydroxy-3'-methoxyisoflavone	[no description available]	medium	1	7-hydroxyisoflavones; methoxyisoflavone	antiplasmodial drug; metabolite
zileuton	[no description available]	medium	1	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
artepillin c	[no description available]	medium	1
drupanin	[no description available]	medium	1
benzoic acid	[no description available]	medium	2	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
vanillin	[no description available]	medium	1	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
e-z cinnamic acid	[no description available]	medium	5	cinnamic acid	plant metabolite
beta-styrylacrylic acid	[no description available]	medium	1
benzyl cinnamate	[no description available]	medium	1	cinnamate ester	antigen; epitope; fixative; flavouring agent; fragrance
3,3'-di-o-methylquercetin	[no description available]	medium	1	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
ellipticine	[no description available]	medium	2	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
5,7,4'-trimethylapigenin	[no description available]	medium	1	ether; flavonoids
5,7-dimethoxyflavone	[no description available]	medium	1	dimethoxyflavone	plant metabolite
3,7-dimethylgalangin	[no description available]	medium	1
diosmetin	[no description available]	medium	3	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
tamarixetin	[no description available]	medium	3	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite
dichamanetin	[no description available]	medium	3	diarylheptanoid	metabolite
bortezomib	[no description available]	medium	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
docetaxel	[no description available]	medium	1	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
triclosan	[no description available]	medium	1	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
vanillic acid	[no description available]	medium	1	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
3-methylkaempferol	[no description available]	medium	2	monomethoxyflavone; trihydroxyflavone	plant metabolite
santin	[no description available]	medium	1	dihydroxyflavone; trimethoxyflavone	plant metabolite
pyrazinamide	[no description available]	medium	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
ofloxacin	[no description available]	medium	2	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
liriodenine	[no description available]	medium	1	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
ethambutol	[no description available]	medium	2	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
7-methyljuglone	[no description available]	medium	1	hydroxy-1,4-naphthoquinone
betulinic acid	[no description available]	medium	3	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
inermin	[no description available]	medium	1	maackiain
diffractaic acid	[no description available]	medium	1	carbonyl compound
ascididemin	[no description available]	medium	1
pimaric acid	[no description available]	medium	1	diterpenoid
malabaricone a	[no description available]	medium	1
altholactone	[no description available]	medium	1	furopyran
squalene	[no description available]	medium	1	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
3,7-dimethoxyflavone	[no description available]	medium	1	ether; flavonoids
methyl caffeate	[no description available]	medium	1	alkyl caffeate ester; methyl ester
tocopherylquinone	[no description available]	medium	1
6,7-dehydroroyleanone	[no description available]	medium	1
horminone	[no description available]	medium	1
ethionamide	[no description available]	medium	1	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
trans-phytol	[no description available]	medium	1	diterpenoid; long-chain primary fatty alcohol	algal metabolite; plant metabolite; schistosomicide drug
scopoletin	[no description available]	medium	2	hydroxycoumarin	plant growth regulator; plant metabolite
isobavachalcone	[no description available]	medium	1	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor
mangostin	[no description available]	medium	1	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
ethyl 4-methoxycinnamate	[no description available]	medium	1
pellitorine	[no description available]	medium	1	fatty amide	metabolite
ergosterol-5,8-peroxide	[no description available]	medium	1	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug
furanoheliangolide	[no description available]	medium	1
3,7,11,15-tetramethyl-2-hexadecen-1-ol	[no description available]	medium	1
beta-sitosterone	[no description available]	medium	1
2-methoxyjuglone	[no description available]	medium	1
azadiradione	[no description available]	medium	1	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite
thuggacin a	[no description available]	medium	1
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene	[no description available]	medium	1	diterpenoid	metabolite
chaetoviridin E	[no description available]	medium	1	azaphilone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound	Chaetomium metabolite
centratherin	[no description available]	medium	1
epoxyazadiradione	[no description available]	medium	1	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite
sch 419560	[no description available]	medium	1
sansanmycin	[no description available]	medium	1
myxopyronin a	[no description available]	medium	1
verapamil	[no description available]	medium	2	aromatic ether; nitrile; polyether; tertiary amino compound
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	1	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
chlorpromazine	[no description available]	medium	1	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofloxacin	[no description available]	medium	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
isoniazid	[no description available]	medium	1	carbohydrazide	antitubercular agent; drug allergen
stearic acid	[no description available]	medium	1	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
bromoethane	[no description available]	medium	1	bromoalkane; bromohydrocarbon; volatile organic compound	alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent
oleic acid	[no description available]	medium	1	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
linoleic acid	[no description available]	medium	1	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
alpha-linolenic acid	[no description available]	medium	1	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
rifampin	[no description available]	medium	2	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
4-aminophenol	[no description available]	medium	1	aminophenol	allergen; metabolite
indoleacetic acid	[no description available]	medium	1	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
melatonin	[no description available]	medium	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
epibatidine	[no description available]	medium	1	alkaloid
aristolochic acid i	[no description available]	medium	1	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
5-methoxypsoralen	[no description available]	medium	1	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	1,4-benzoquinones	cofactor
3,3'-diindolylmethane	[no description available]	medium	1	indoles	antineoplastic agent; P450 inhibitor
embelin	[no description available]	medium	1	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
gossypol	[no description available]	medium	1
hypericin	[no description available]	medium	1
indole-3-carbinol	[no description available]	medium	1	indolyl alcohol	antineoplastic agent; plant metabolite
nsc 664704	[no description available]	medium	1	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
khellin	[no description available]	medium	1	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
kinetin	[no description available]	medium	1	6-aminopurines; furans	cytokinin; geroprotector
beta-lapachone	[no description available]	medium	1	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
vitamin k 3	[no description available]	medium	1	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	medium	1	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
myristicin	[no description available]	medium	1	organic molecular entity	metabolite
nalidixic acid	[no description available]	medium	1	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	isoquinolines
patulin	[no description available]	medium	1	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
phloretin	[no description available]	medium	2	dihydrochalcones	antineoplastic agent; plant metabolite
sanguinarine	[no description available]	medium	1	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
streptonigrin	[no description available]	medium	1	pyridines; quinolone	antimicrobial agent; antineoplastic agent
tetrahydropapaverine	[no description available]	medium	1	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
theobromine	[no description available]	medium	1	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
trioxsalen	[no description available]	medium	1	psoralens	dermatologic drug; photosensitizing agent
mitomycin	[no description available]	medium	1	mitomycin	alkylating agent; antineoplastic agent
reserpine	[no description available]	medium	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
pilocarpine hydrochloride	[no description available]	medium	1	hydrochloride
cantharidin	[no description available]	medium	1	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
physostigmine	[no description available]	medium	2	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
kanamycin a	[no description available]	medium	1	kanamycins	bacterial metabolite
veratramine	[no description available]	medium	1	piperidine alkaloid
phlorhizin	[no description available]	medium	1	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
papaverine hydrochloride	[no description available]	medium	1
colchicine	[no description available]	medium	1	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	1
cycloheximide	[no description available]	medium	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
gliotoxin	[no description available]	medium	1	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
tubercidin	[no description available]	medium	2	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
veratridine	[no description available]	medium	1	steroid	sodium channel modulator
gibberellic acid	[no description available]	medium	1	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
visnagin	[no description available]	medium	1	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
skimmianine	[no description available]	medium	1	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
syrosingopine	[no description available]	medium	1	yohimban alkaloid
gramine	[no description available]	medium	1	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
methylergonovine	[no description available]	medium	1	ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)	[no description available]	medium	1	diarylmethane
indolebutyric acid	[no description available]	medium	1	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
shikimic acid	[no description available]	medium	1	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
monocrotaline	[no description available]	medium	2	pyrrolizidine alkaloid
jervine	[no description available]	medium	1	piperidines
glycyrrhetinic acid	[no description available]	medium	1	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
boldine	[no description available]	medium	1	aporphine alkaloid
indirubin	[no description available]	medium	1
plumbagin	[no description available]	medium	1	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
cepharanthine	[no description available]	medium	1	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin	[no description available]	medium	2	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
osthol	[no description available]	medium	1	botanical anti-fungal agent; coumarins	metabolite
cytisine	[no description available]	medium	1	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
bicuculline	[no description available]	medium	1	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	1	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
thymoquinone	[no description available]	medium	1	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
oleanolic acid	[no description available]	medium	2	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
podophyllotoxin	[no description available]	medium	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
azomycin	[no description available]	medium	1	C-nitro compound; imidazoles	antitubercular agent
Berberine chloride (TN)	[no description available]	medium	1	organic molecular entity
vincamine	[no description available]	medium	1	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
muscarine	[no description available]	medium	1
ecdysone	[no description available]	medium	1	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
n-deacetyl-n-formylcolchicine	[no description available]	medium	1	cyclic ketone
camptothecin	[no description available]	medium	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
tetradecanoylphorbol acetate	[no description available]	medium	1	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
2-bromoergocryptine mesylate	[no description available]	medium	1	methanesulfonate salt	antiparkinson drug
zingerone	[no description available]	medium	1	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
etoposide	[no description available]	medium	1	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
phorbol 12,13-dibutyrate	[no description available]	medium	1	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
cephradine	[no description available]	medium	1	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
quisqualic acid	[no description available]	medium	1	non-proteinogenic alpha-amino acid
colforsin	[no description available]	medium	1	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
swainsonine	[no description available]	medium	1	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
castanospermine	[no description available]	medium	1	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
daunorubicin hydrochloride	[no description available]	medium	1	anthracycline
mevastatin	[no description available]	medium	1	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
norharman	[no description available]	medium	1	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
epigallocatechin gallate	[no description available]	medium	3	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
baccatin iii	[no description available]	medium	1	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
taleranol	[no description available]	medium	1	macrolide
narasin	[no description available]	medium	1	diterpene glycoside
quassin	[no description available]	medium	1	triterpenoid
tomatidine	[no description available]	medium	1	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
aloxistatin	[no description available]	medium	1	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
rutecarpine	[no description available]	medium	1	beta-carbolines
bergenin	[no description available]	medium	1	trihydroxybenzoic acid	metabolite
isoscopoletin	[no description available]	medium	1	aromatic ether; hydroxycoumarin	plant metabolite
vinburnine	[no description available]	medium	1	alkaloid
magnolol	[no description available]	medium	1	biphenyls
honokiol	[no description available]	medium	1	biphenyls
chelerythrine chloride	[no description available]	medium	1
betulin	[no description available]	medium	1	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
tetrahydroalstonine	[no description available]	medium	1	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
hernandezine	[no description available]	medium	1	bisbenzylisoquinoline alkaloid; isoquinolines
picropodophyllin	[no description available]	medium	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor
tetrandrine	[no description available]	medium	1	bisbenzylisoquinoline alkaloid; isoquinolines
dehydrocostus lactone	[no description available]	medium	1	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
madecassic acid	[no description available]	medium	1	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
panaxadiol	[no description available]	medium	1	triterpenoid saponin
tryptanthrine	[no description available]	medium	1	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
4-hydroxyindole	[no description available]	medium	1	hydroxyindoles; phenols
eriocitrin	[no description available]	medium	1	3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone	antioxidant
7,8-dihydromethysticin	[no description available]	medium	1	2-pyranones; aromatic ether
nicotine	[no description available]	medium	1	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
cinchonine	[no description available]	medium	1	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
aucubin	[no description available]	medium	1	organic molecular entity	metabolite
lupinine	[no description available]	medium	1	quinolizidine alkaloid
matrine	[no description available]	medium	1	alkaloid
friedelin	[no description available]	medium	1	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
catalpol	[no description available]	medium	1	organic molecular entity	metabolite
quinine hydrochloride	[no description available]	medium	1
sarsasapogenin	[no description available]	medium	1	sapogenin
corynanthine	[no description available]	medium	1	yohimban alkaloid
prunin protein, prunus	[no description available]	high	1	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite
podocarpic acid	[no description available]	medium	1	abietane diterpenoid
harmol hydrochloride	[no description available]	medium	1
5-Methoxyflavone	[no description available]	medium	1	ether; flavonoids
10-hydroxycamptothecin	[no description available]	medium	1	pyranoindolizinoquinoline
corydaline	[no description available]	medium	1	isoquinoline alkaloid; isoquinolines
demissidine	[no description available]	medium	1	alkaloid; organic heteropolycyclic compound; steroid
cinchonidine	[no description available]	medium	1	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
propidium iodide	[no description available]	medium	1	organic iodide salt
tryptoline	[no description available]	medium	1	beta-carbolines
deguelin	[no description available]	medium	1	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
catechin	[no description available]	medium	1	hydrate	geroprotector
daidzin	[no description available]	medium	1	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
cafestol	[no description available]	medium	1	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
homoorientin	[no description available]	medium	1	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
asiatic acid	[no description available]	medium	1	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
angustmycin a	[no description available]	medium	1	6-aminopurines
razadyne	[no description available]	medium	1
phytosphingosine	[no description available]	medium	1	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[no description available]	medium	1
celastrol	[no description available]	medium	1	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
4'-demethylepipodophyllotoxin	[no description available]	medium	1	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	leucine derivative
e 64	[no description available]	medium	1	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
sinensetin	[no description available]	medium	1	pentamethoxyflavone	plant metabolite
harmalol hydrochloride	[no description available]	medium	1
hyoscyamine	[no description available]	medium	1	tropane alkaloid
schizandrin a	[no description available]	medium	1
schizandrin b	[no description available]	medium	1	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
cryptotanshinone	[no description available]	medium	1	abietane diterpenoid	anticoronaviral agent
isovitexin	[no description available]	medium	1	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
sclareol	[no description available]	medium	1	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
tanshinone ii a	[no description available]	medium	1	abietane diterpenoid
leucodin	[no description available]	medium	1	sesquiterpene lactone
limonin	[no description available]	medium	1	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
maduramicin	[no description available]	medium	1
chelidonine	[no description available]	medium	1	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
troleandomycin	[no description available]	medium	1	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
santonin	[no description available]	medium	1	botanical anti-fungal agent; santonin	plant metabolite
vincristine sulfate	[no description available]	medium	1	organic sulfate salt	antineoplastic agent; geroprotector
anisomycin	[no description available]	medium	1	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acetylstrophanthidin	[no description available]	medium	1	acetate ester	anti-arrhythmia drug
Harringtonine	[no description available]	medium	1	alkaloid
acivicin	[no description available]	medium	1	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
ketopinic acid	[no description available]	medium	1
wortmannin	[no description available]	medium	1	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
gitoxigenin	[no description available]	medium	1	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
graveoline	[no description available]	medium	1	quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en	[no description available]	medium	1
ouabain	[no description available]	medium	1	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
puromycin	[no description available]	medium	2	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
mimosine	[no description available]	medium	1	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
arbutin	[no description available]	medium	2	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
quinidine	[no description available]	medium	1	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
conessine	[no description available]	medium	1	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
griseofulvin	[no description available]	medium	1	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	1	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin	[no description available]	medium	1
deltaline	[no description available]	medium	1	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound
ingenol	[no description available]	medium	1	cyclic terpene ketone; tetracyclic diterpenoid
picrotin	[no description available]	medium	1	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite
picrotoxinin	[no description available]	medium	1	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
naringin	[no description available]	high	1	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	high	1	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
ochratoxin a	[no description available]	medium	1	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
gingerol	[no description available]	medium	2	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
securinine	[no description available]	medium	1	indolizines
Dubinidine	[no description available]	medium	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	1	piperidines	glioma-associated oncogene inhibitor
vinpocetine	[no description available]	medium	1	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	1	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	2	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
thapsigargin	[no description available]	medium	1	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acid	[no description available]	medium	1	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
alitretinoin	[no description available]	medium	1	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
L-cycloserine	[no description available]	medium	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
12-deoxyphorbol 13-acetate	[no description available]	medium	1	phorbol ester	metabolite
dactinomycin	[no description available]	medium	1	actinomycin	mutagen
aphidicolin	[no description available]	medium	1	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
(+)-usnic acid	[no description available]	medium	2	usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer	[no description available]	medium	1	hydroxy-1,4-naphthoquinone
shikonin	[no description available]	medium	1	hydroxy-1,4-naphthoquinone
rhapontin	[no description available]	medium	1	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite
piperine	[no description available]	medium	1	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
rauwolscine	[no description available]	medium	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
amygdalin	[no description available]	medium	1	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
hydrastine, (r-(r,s))-isomer	[no description available]	medium	1	isoquinolines
vasicine	[no description available]	medium	1
cotinine	[no description available]	medium	1	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
heliotrine	[no description available]	medium	1	pyrrolizines
sclareolide	[no description available]	medium	1	naphthofuran
hypocrellin b	[no description available]	medium	1
capsaicin	[no description available]	medium	1	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
aurapten	[no description available]	medium	1	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary
chlorogenic acid	[no description available]	medium	1	cinnamate ester; tannin	food component; plant metabolite
fumonisin b2	[no description available]	medium	1	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent
lincomycin	[no description available]	medium	1	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin	[no description available]	medium	1	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
orlistat	[no description available]	medium	1	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
12-deoxyphorbolphenylacetate-20-acetate	[no description available]	medium	1
brassinin	[no description available]	medium	1	dithiocarbamic ester; indole phytoalexin
chaetomellic acid a	[no description available]	medium	1
hirsutine	[no description available]	medium	1
3-deoxyvasicine, hydrochloride	[no description available]	medium	1
emetine dihydrochloride	[no description available]	medium	1	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
salinomycin	[no description available]	medium	1	polyketide; spiroketal	animal growth promotant; potassium ionophore
silybin	[no description available]	medium	1
9,10-dihydrolysergol	[no description available]	medium	1
geranylgeranic acid	[no description available]	medium	1	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
dinoprostone	[no description available]	medium	3	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	1	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
prostaglandin b1	[no description available]	medium	1	prostaglandins B	human metabolite
sterigmatocystin	[no description available]	medium	1	sterigmatocystins	metabolite
vitexin	[no description available]	medium	1	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
quercitrin	[no description available]	medium	1	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
hymecromone	[no description available]	medium	1	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil	[no description available]	medium	1	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
senecionine	[no description available]	medium	1	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
amphotericin b	[no description available]	medium	3	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
butein	[no description available]	medium	2	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
sulfuretin	[no description available]	medium	1	1-benzofurans
chartreusin	[no description available]	medium	1	benzochromenone; glycoside
methysticin	[no description available]	medium	1	2-pyranones; aromatic ether
yangonin	[no description available]	medium	1	2-pyranones; aromatic ether
zearalenone	[no description available]	medium	1	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein	[no description available]	medium	1	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
datiscetin	[no description available]	medium	1	7-hydroxyflavonol; tetrahydroxyflavone
diosmin	[no description available]	high	1	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
coumestrol	[no description available]	medium	1	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rosmarinic acid	[no description available]	medium	1	rosmarinic acid	geroprotector; plant metabolite
wedelolactone	[no description available]	medium	1	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
rottlerin	[no description available]	medium	1	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid	[no description available]	medium	2	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
prostaglandin a1	[no description available]	medium	1	prostaglandins A
cerulenin	[no description available]	medium	1	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rhoifolin	[no description available]	medium	1	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
vitexin rhamnoside	[no description available]	medium	1	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
domoic acid	[no description available]	medium	1	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
isotretinoin	[no description available]	medium	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
cyclosporine	[no description available]	medium	1	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	1	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
sirolimus	[no description available]	medium	2	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
brefeldin a	[no description available]	medium	1	macrolide antibiotic	Penicillium metabolite
cytochalasin b	[no description available]	medium	1	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
vinorelbine	[no description available]	medium	1	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
bisdemethoxycurcumin	[no description available]	medium	1	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
andrographolide	[no description available]	medium	1	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin 3-o-glucoside	[no description available]	medium	1	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
6,7-dihydroxyflavone	[no description available]	medium	1
flavokawain a	[no description available]	medium	1	chalcones
flavokawain b	[no description available]	medium	1	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
kavain	[no description available]	medium	1	racemate	glycine receptor antagonist
abscisic acid, (+,-)-isomer	[no description available]	medium	1	abscisic acids	abscisic acid receptor agonist
veratrine	[no description available]	medium	1	alkaloid
vinblastine sulfate	[no description available]	medium	1
catharanthine	[no description available]	medium	1	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
cytochalasin e	[no description available]	medium	1	cytochalasan alkaloid	metabolite
cytochalasin d	[no description available]	medium	1
sinomenine	[no description available]	medium	1	morphinane alkaloid
ecdysterone	[no description available]	medium	1	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
bleomycin	[no description available]	medium	1	bleomycin	antineoplastic agent; metabolite
bakuchiol	[no description available]	medium	2
zerumbone	[no description available]	medium	1	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite
solanesol	[no description available]	medium	1	nonaprenol; primary alcohol	plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester	[no description available]	medium	1	yohimban alkaloid
n-caproylsphingosine	[no description available]	medium	1	N-acylsphingosine
monorden	[no description available]	medium	1	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
ginkgolide b	[no description available]	medium	1
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	1
hydrocotarnine hydrobromide	[no description available]	medium	1
salsolinol hydrobromide	[no description available]	medium	1
lasalocid sodium	[no description available]	medium	1	benzoates; organic sodium salt	coccidiostat; ionophore
sclerotiorin	[no description available]	medium	1	azaphilone
himbacine	[no description available]	medium	1	gamma-lactone; organic heterotricyclic compound; piperidine alkaloid	muscarinic antagonist
ebelactone b	[no description available]	medium	1
3-o-methylbutein	[no description available]	medium	1	chalcones
thermozymocidin	[no description available]	medium	1	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
marein	[no description available]	medium	1	flavonoids; glycoside
hydroxyachillin	[no description available]	medium	1	gamma-lactone
butylscopolammonium bromide	[no description available]	medium	1
fumagillin	[no description available]	medium	1	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
artesunate	[no description available]	medium	2	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
anisodamine	[no description available]	medium	1
bufalin	[no description available]	medium	1	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug
alpha-solanine	[no description available]	medium	1	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
apigenin-7-o-rutinoside	[no description available]	medium	1
gambogic acid	[no description available]	medium	1	pyranoxanthones	metabolite
bn 52020	[no description available]	medium	1
carmine	[no description available]	medium	1	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
bavachinin	[no description available]	medium	1	flavanones
grayanotoxin iii	[no description available]	medium	1
Dihydrotanshinone I	[no description available]	medium	1	abietane diterpenoid	anticoronaviral agent
calcimycin	[no description available]	medium	1	benzoxazole
cinobufagin	[no description available]	medium	1	steroid lactone
atropine sulfate	[no description available]	medium	1
cannogenin thevetoside	[no description available]	medium	1	cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside	[no description available]	medium	1	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger
hypocrellin a	[no description available]	medium	1
monensin	[no description available]	medium	1
minocycline	[no description available]	medium	1
dicumarol	[no description available]	medium	1	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
citrinin	[no description available]	medium	1
vulpinic acid	[no description available]	medium	1	butenolide
ajmaline	[no description available]	medium	1
alpha-cyclopiazonic acid	[no description available]	medium	1	alpha-cyclopiazonic acids
pimagedine	[no description available]	medium	1	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
medicarpin	[no description available]	medium	1	medicarpin	plant metabolite
latifolin	[no description available]	medium	1
salicylic acid	[no description available]	medium	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid	[no description available]	medium	2	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
salicylaldehyde	[no description available]	medium	1	hydroxybenzaldehyde	nematicide; plant metabolite
furaldehyde	[no description available]	medium	1	aldehyde; furans	Maillard reaction product; metabolite
2'-hydroxyacetophenone	[no description available]	medium	1	monohydroxyacetophenone; phenols	flavouring agent
piperonal	[no description available]	medium	1	arenecarbaldehyde; benzodioxoles	fragrance; insect repellent; plant metabolite
3-tert-butyl-4-hydroxyanisole	[no description available]	medium	1	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	1	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
n-(hydroxymethyl)carbazole	[no description available]	medium	1
4'-methoxyflavone	[no description available]	medium	1	ether; flavonoids
karanjin	[no description available]	medium	1	extended flavonoid
4'-chloroflavone	[no description available]	medium	1
cinnamaldehyde	[no description available]	medium	2	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
benzylideneacetone	[no description available]	medium	1	benzylideneacetone	bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance
chalcone	[no description available]	medium	1	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
2'-hydroxychalcone	[no description available]	medium	1	chalcones; phenols	anti-inflammatory agent
2'-hydroxy-4-methoxychalcone	[no description available]	medium	1
catechin	[no description available]	medium	1	catechin	antioxidant; plant metabolite
kojic acid	[no description available]	medium	2	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
(2S)-5,7-dihydroxy-6,8-dimethylflavanone	[no description available]	medium	1	dihydroxyflavanone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
2',4',6'-Trihydroxydihydrochalcone	[no description available]	medium	1	chalcones
morachalcone a	[no description available]	medium	1	chalcones
2,4,2',4'-Tetrahydroxychalcone	[no description available]	medium	1	chalcones
sulcotrione	[no description available]	medium	1	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
nitisinone	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
mesotrione	[no description available]	medium	1	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic
leptospermone	[no description available]	medium	1
topramezone	[no description available]	medium	1
tembotrione	[no description available]	medium	1	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	[no description available]	medium	1	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
protocatechuic acid	[no description available]	medium	1	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
ficusin	[no description available]	medium	1	psoralens	plant metabolite
thymol	[no description available]	medium	1	monoterpenoid; phenols	volatile oil component
uvitex swn	[no description available]	medium	1	7-aminocoumarins	fluorochrome
methyleugenol	[no description available]	medium	1	phenylpropanoid
4-cymene	[no description available]	medium	1	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
desaspidin	[no description available]	medium	1
estragole	[no description available]	medium	1	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
aspidin bb	[no description available]	medium	1
methylinositol	[no description available]	medium	1
10-gingerol	[no description available]	medium	1	beta-hydroxy ketone; monomethoxybenzene; phenols
limonene-1,2-epoxide	[no description available]	medium	1	limonene 1,2-epoxide
anethole	[no description available]	medium	1	anethole	flavouring agent
curcumin	[no description available]	medium	3	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
gingerenone a	[no description available]	medium	1	diarylheptanoid
shogaol	[no description available]	medium	1	enone; monomethoxybenzene; phenols
(10)-shogaol	[no description available]	medium	1	enone; monomethoxybenzene; phenols
acarbose	[no description available]	medium	1	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
zeylenone	[no description available]	medium	1
quinacrine	[no description available]	medium	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
amodiaquine	[no description available]	medium	1	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
berberine	[no description available]	medium	1	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
chloroquine	[no description available]	medium	2	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
emetine	[no description available]	medium	1	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
bromocriptine	[no description available]	medium	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ribavirin	[no description available]	medium	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
mefloquine	[no description available]	medium	1	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
sinefungin	[no description available]	medium	1	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
epicatechin gallate	[no description available]	medium	1	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
methotrexate	[no description available]	medium	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
vx 497	[no description available]	medium	1
(-)-gallocatechin gallate	[no description available]	medium	1	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite
benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester	[no description available]	medium	1	benzoate ester
astragalin	[no description available]	medium	1	beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	plant metabolite; trypanocidal drug
gsk 369796	[no description available]	medium	1
galidesivir	[no description available]	medium	1
nitd008	[no description available]	medium	1
sofosbuvir	[no description available]	medium	1	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
novobiocin	[no description available]	medium	1	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
caproamide	[no description available]	medium	1	primary carboxamide; primary fatty amide
viridicatin	[no description available]	medium	1	hydroxyquinoline	antibacterial agent; Aspergillus metabolite; marine metabolite; Penicillium metabolite
avarol	[no description available]	medium	1
avarone	[no description available]	medium	1
skyrin	[no description available]	medium	1	biaryl; trihydroxyanthraquinone
altersolanol a	[no description available]	medium	1	pentahydroxyanthraquinone
xanthorrhizol	[no description available]	medium	1	sesquiterpenoid
aeroplysinin i	[no description available]	medium	1	tertiary alcohol
matairesinol	[no description available]	medium	1	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
macrosporin	[no description available]	medium	1
beauvericin	[no description available]	medium	1	cyclodepsipeptide	antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor
8-hydroxymanzamine a	[no description available]	medium	1	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite
neobavaisoflavone	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor
alternariol monomethyl ether	[no description available]	medium	1	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin
luffariellolide	[no description available]	medium	1	diterpene lactone
bavachalcone	[no description available]	medium	1	chalcones
aerothionin	[no description available]	medium	1	isoxazoles	metabolite
roquefortine	[no description available]	medium	1	pyrroloindole
pyrimethamine	[no description available]	medium	1	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pyronaridine	[no description available]	medium	1	aminoquinoline
artenimol	[no description available]	medium	1
piperidines	[no description available]	medium	1
substance p	[no description available]	medium	1	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
isoproterenol	[no description available]	medium	2	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
morphine	[no description available]	medium	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
interleukin-8	[no description available]	medium	1
prednisolone	[no description available]	medium	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
tocophersolan	[no description available]	medium	1	tocol
tanshinone	[no description available]	medium	1	abietane diterpenoid	anticoronaviral agent
epidermal growth factor	[no description available]	medium	1
gramicidin a	[no description available]	medium	1
pinostrobin	[no description available]	medium	13	ether; flavonoids
bromine	[no description available]	medium	1	diatomic bromine
iodine	[no description available]	medium	1	diatomic iodine	nutrient
acetone	[no description available]	medium	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
phenylethyl alcohol	[no description available]	medium	3	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
benzo(a)pyrene	[no description available]	medium	1	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
indomethacin	[no description available]	medium	2	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
lactic acid	[no description available]	medium	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
oxidopamine	[no description available]	medium	2	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
hydrogen	[no description available]	medium	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
chlorpyrifos	[no description available]	medium	1	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
heme	[no description available]	medium	1
ovalbumin	[no description available]	medium	1
furylfuramide	[no description available]	medium	1	acrylamides; C-nitro compound; nitrofuran antibiotic; primary carboxamide
2-amino-3,4-dimethylimidazo(4,5-f)quinoline	[no description available]	medium	1	aminoquinoline
transforming growth factor beta	[no description available]	medium	1
carbon tetrachloride	[no description available]	medium	1	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
sorafenib	[no description available]	medium	1	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
niacinamide	[no description available]	medium	1	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
tiliroside	[no description available]	medium	3	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
pyruvaldehyde	[no description available]	medium	2	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
silver	[no description available]	medium	2	copper group element atom; elemental silver	Escherichia coli metabolite
humulin s	[no description available]	medium	1
glucose, (beta-d)-isomer	[no description available]	medium	6	D-glucopyranose	epitope; mouse metabolite
cyanidin-3-o-beta-glucopyranoside	[no description available]	medium	1
angiotensin ii	[no description available]	medium	2	amino acid zwitterion; angiotensin II	human metabolite
coumaphos	[no description available]	medium	1	organic thiophosphate; organochlorine compound; organothiophosphate insecticide	acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor
sesquiterpenes	[no description available]	medium	2
1-methyl-4-phenylpyridinium	[no description available]	medium	2	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
likviriton	[no description available]	medium	1	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite
nitrites	[no description available]	medium	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
piperitone	[no description available]	medium	1	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component
piperitenone	[no description available]	medium	1	p-menthadien-3-one
gamma-sitosterol	[no description available]	medium	2	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
cytellin	[no description available]	medium	2
glutamic acid	[no description available]	medium	2	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
malonyl coenzyme a	[no description available]	medium	3	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
acetonitrile	[no description available]	medium	1	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
2-methylpentane	[no description available]	medium	1	alkane
gentamicin	[no description available]	medium	1
goniothalamin	[no description available]	medium	1
cytochrome c-t	[no description available]	medium	3
phenylalanine	[no description available]	medium	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
paraquat	[no description available]	medium	1	organic cation	geroprotector; herbicide
phytoestrogens	[no description available]	medium	1
echinacin	[no description available]	medium	1
gold	[no description available]	medium	1	copper group element atom; elemental gold
mucronulatol	[no description available]	medium	1	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite
2',4',6'-trihydroxychalcone	[no description available]	medium	1	chalcones	antifungal agent; plant metabolite
adenosine diphosphate	[no description available]	medium	1	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
cryptocaryone	[no description available]	medium	2	benzofurans
rhodamine 123	[no description available]	medium	1	organic cation; xanthene dye	fluorochrome
cyclosporine	[no description available]	medium	1
fluconazole	[no description available]	medium	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
stilbenes	[no description available]	medium	2	stilbene
phenanthrenes	[no description available]	medium	1
diethylnitrosamine	[no description available]	medium	1	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
oleuropeic acid	[no description available]	medium	1
warfarin	[no description available]	medium	1	benzenes; hydroxycoumarin; methyl ketone
7-ethoxycoumarin	[no description available]	medium	1	aromatic ether; coumarins
simvastatin	[no description available]	medium	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
malondialdehyde	[no description available]	medium	1	dialdehyde	biomarker
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	1
gnaphalin	[no description available]	medium	1
hydrazine	[no description available]	medium	1	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
mocetinostat	[no description available]	medium	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
floxacillin	[no description available]	medium	1	isoquinolines
aluminum	[no description available]	medium	1	boron group element atom; elemental aluminium; metal atom
ng-nitroarginine methyl ester	[no description available]	medium	1	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
potassium chloride	[no description available]	medium	1	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
methylene blue	[no description available]	medium	1	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
fluorescein	[no description available]	medium	1	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
evans blue	[no description available]	medium	1	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
pinosylvin	[no description available]	medium	1	pinosylvin
alpha-hydroxyglutarate	[no description available]	low	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
alpha-isopropylmalate	[no description available]	low	0	2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid	metabolite
acetoacetic acid	[no description available]	low	0	3-oxo fatty acid; ketone body	metabolite
3-hydroxybenzyl alcohol	[no description available]	low	0	hydroxybenzyl alcohol; phenols	metabolite
n-carbamoyl-beta-alanine	[no description available]	low	0	beta-alanine derivative	metabolite; mouse metabolite
ethylene glycol	[no description available]	low	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetoin	[no description available]	low	0	methyl ketone; secondary alpha-hydroxy ketone	metabolite
ammonium hydroxide	[no description available]	low	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
benzyl alcohol	[no description available]	low	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
carbon monoxide	[no description available]	low	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid	[no description available]	low	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
4-hydroxymandelic acid	[no description available]	low	0	2-hydroxy carboxylic acid; phenols	metabolite
aminoethylphosphonic acid	[no description available]	low	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
hydrogen sulfide	[no description available]	low	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
n(1)-acetylspermidine	[no description available]	low	0	acetylspermidine	Escherichia coli metabolite; metabolite
aminocaproic acid	[no description available]	low	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
dihydrouracil	[no description available]	low	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydroxyacetone	[no description available]	low	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylamine	[no description available]	low	0	methylamines; secondary aliphatic amine	metabolite
glycolic acid	[no description available]	low	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
hydantoin-5-propionic acid	[no description available]	low	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
niacin	[no description available]	low	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	low	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
oxaloacetic acid	[no description available]	low	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
porphobilinogen	[no description available]	low	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
1-propanol	[no description available]	low	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
trimethyloxamine	[no description available]	low	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
6-hydroxymelatonin	[no description available]	low	0	acetamides; tryptamines	metabolite; mouse metabolite
n-acetylphenylalanine	[no description available]	low	0	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite
n-acetyltryptophan	[no description available]	low	0	N-acetyl-amino acid; tryptophan derivative	metabolite
arecoline	[no description available]	low	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
dibutyl phthalate	[no description available]	low	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
hydroxymethyltolbutamide	[no description available]	low	0	benzyl alcohols; sulfonamide; ureas	metabolite
methyl salicylate	[no description available]	low	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
phenmetrazine	[no description available]	low	0	morpholines	metabolite; sympathomimetic agent
phenylbutazone	[no description available]	low	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
safrole	[no description available]	low	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
2,2'-thiodiethanol	[no description available]	low	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
sorbitol	[no description available]	low	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
alloxan	[no description available]	low	0	pyrimidone	hyperglycemic agent; metabolite
thymidine	[no description available]	low	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
glutamine	[no description available]	low	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
allyl isothiocyanate	[no description available]	low	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
n-methyltryptamine	[no description available]	low	0	tryptamine alkaloid; tryptamines	metabolite
4-deoxypyridoxine	[no description available]	low	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
cycloserine	[no description available]	low	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	low	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
mannitol	[no description available]	low	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
phenacyl bromide	[no description available]	low	0	acetophenones; alpha-bromoketone	metabolite
trichloroacetic acid	[no description available]	low	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
acrylic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-methylacetamide	[no description available]	low	0	acetamides; monocarboxylic acid amide	metabolite
bis(4-hydroxyphenyl)sulfone	[no description available]	low	0	bisphenol; sulfone	endocrine disruptor; metabolite
7-amino-4-hydroxy-2-naphthalenesulfonic acid	[no description available]	low	0	aminonaphthalenesulfonic acid; naphthols	metabolite
methyl benzoate	[no description available]	low	0	benzoate ester; methyl ester	insect attractant; metabolite
2-dichlorobenzene	[no description available]	low	0	dichlorobenzene	hepatotoxic agent; metabolite
2,4-diaminotoluene	[no description available]	low	0	aminotoluene	metabolite
4-butyrolactone	[no description available]	low	0	butan-4-olide	metabolite; neurotoxin
sulfosalicylic acid	[no description available]	low	0	arenesulfonic acid; benzoic acids; phenols	metabolite
ethyl lactate	[no description available]	low	0	ethyl ester; lactate ester; secondary alcohol	metabolite
thiophene-2-carboxaldehyde	[no description available]	low	0	aldehyde; thiophenes	metabolite
alpha-resorcylic acid	[no description available]	low	0	dihydroxybenzoic acid; resorcinols	metabolite
methylenebis(chloroaniline)	[no description available]	low	0	chloroaniline	metabolite
2-phenylethyl acetate	[no description available]	low	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
dibenzyl ether	[no description available]	low	0	benzyl ether	metabolite
ethyl propionate	[no description available]	low	0	propanoate ester	metabolite
citronellal	[no description available]	low	0	aldehyde; monoterpenoid	antifungal agent; metabolite
ethyl oenanthate	[no description available]	low	0	fatty acid ethyl ester	metabolite
ethyl caprylate	[no description available]	low	0	fatty acid ethyl ester; octanoate ester	metabolite
ethyl laurate	[no description available]	low	0	fatty acid ethyl ester	metabolite
acetic anhydride	[no description available]	low	0	acyclic carboxylic anhydride	metabolite; reagent
ethyl isovalerate	[no description available]	low	0	fatty acid ethyl ester; olefinic compound	metabolite
n-butyl n-butyrate	[no description available]	low	0	butyrate ester	metabolite
ethyl decanoate	[no description available]	low	0	decanoate ester; fatty acid ethyl ester	metabolite
methyl octanoate	[no description available]	low	0	fatty acid methyl ester; octanoate ester	metabolite
2-octanone	[no description available]	low	0	methyl ketone	metabolite
hexylamine	[no description available]	low	0	primary aliphatic amine	metabolite
lauric acid methyl ester	[no description available]	low	0	dodecanoate ester; fatty acid methyl ester	metabolite
octylamine	[no description available]	low	0	primary aliphatic amine	metabolite
n-decyl alcohol	[no description available]	low	0	decanol; primary alcohol	metabolite; pheromone; protic solvent
methyl palmitate	[no description available]	low	0	fatty acid methyl ester	metabolite
maltol	[no description available]	low	0	4-pyranones	metabolite
chloranil	[no description available]	low	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
dibenzoylmethane	[no description available]	low	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite
methyl anthranilate	[no description available]	low	0	benzoate ester	flavouring agent; metabolite
benzyl acetate	[no description available]	low	0	acetate ester; benzyl ester	metabolite
ethyl acetate	[no description available]	low	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
dibenzyl disulfide	[no description available]	low	0	organic aromatic compound; organic disulfide	metabolite
mequinol	[no description available]	low	0	methoxybenzenes; phenols	metabolite
gamma-resorcylic acid	[no description available]	low	0	dihydroxybenzoic acid	metabolite
kynuramine	[no description available]	low	0	kynurenamines; primary amino compound	metabolite
5-methylpyrazole-3-carboxylic acid	[no description available]	low	0	monocarboxylic acid; pyrazoles	metabolite
4-trifluoromethylaniline	[no description available]	low	0	(trifluoromethyl)benzenes; substituted aniline	metabolite
methylguanidine	[no description available]	low	0	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin
imperatorin	[no description available]	low	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
Dillapiole	[no description available]	low	0	benzodioxoles	metabolite
coumaran	[no description available]	low	0	1-benzofurans	metabolite
1,3-propanediol	[no description available]	low	0	propane-1,3-diols	metabolite; protic solvent
tridecanedioic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
apiole	[no description available]	low	0	benzodioxoles	metabolite
cetyl palmitate	[no description available]	low	0	hexadecanoate ester	metabolite
n-amyl butyrate	[no description available]	low	0	butyrate ester	metabolite
3-aminobutyric acid	[no description available]	low	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
methyl lactate	[no description available]	low	0	lactate ester; methyl ester	metabolite
paeonol	[no description available]	low	0	methoxybenzenes; phenols	metabolite
2,2-dimethylbutyric acid	[no description available]	low	0	dimethylbutyric acid	metabolite
2-chloroacrylic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid	metabolite
galactitol	[no description available]	low	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1-methyluracil	[no description available]	low	0	nucleobase analogue; pyrimidone	metabolite
2-pyrrolidone	[no description available]	low	0	pyrrolidin-2-ones	metabolite; polar solvent
n-ethylacetamide	[no description available]	low	0	acetamides	metabolite
6-methyluracil	[no description available]	low	0	pyrimidone	metabolite
3-methylglutaric acid	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
amyl acetate	[no description available]	low	0	acetate ester	metabolite
dibenzothiophene 5-oxide	[no description available]	low	0	dibenzothiophenes	metabolite
2-acetamidoethanethiol	[no description available]	low	0	acetamides	metabolite
2-hydroxyquinoxaline	[no description available]	low	0	hydroxyquinoxaline	metabolite
3,4-dihydroxyacetophenone	[no description available]	low	0	acetophenones; catechols; dihydroxyacetophenone	metabolite
methyl hippurate	[no description available]	low	0	glycine derivative; methyl ester	metabolite
isobarbaloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
methyl tert-butyl ether	[no description available]	low	0	ether	fuel additive; metabolite; non-polar solvent
4-octylphenol	[no description available]	low	0	phenols	metabolite; surfactant; xenoestrogen
dronabinol	[no description available]	low	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
phenethyl isothiocyanate	[no description available]	low	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
aviprin	[no description available]	low	0	furanocoumarin	metabolite
hydroxyphenytoin	[no description available]	low	0	imidazolidine-2,4-dione; phenols	metabolite
squaric acid	[no description available]	low	0	alicyclic ketone; carbon oxoacid	metabolite
methyl methanethiosulfonate	[no description available]	low	0	sulfonic acid derivative; thiosulfonate ester	metabolite
arabinofuranosyluracil	[no description available]	low	0	N-glycosyl compound	metabolite
6-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
mannose	[no description available]	low	0	D-aldohexose; D-mannose; mannopyranose	metabolite
2,3-hexanedione	[no description available]	low	0	alpha-diketone	metabolite
tabersonine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite
3,3-dimethylglutarate	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
raspberry ketone	[no description available]	low	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
laurolitsine	[no description available]	low	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
helenalin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
diethyl malate	[no description available]	low	0	malate ester	metabolite
carbendazim	[no description available]	low	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
glucoheptonate	[no description available]	low	0	carbohydrate acid; monocarboxylic acid	metabolite
deslanoside	[no description available]	low	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
streptozocin	[no description available]	low	0	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite
pedalitin	[no description available]	low	0	monomethoxyflavone; tetrahydroxyflavone	EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite
ethyl nonanoate	[no description available]	low	0	fatty acid ethyl ester	metabolite
ethyl hexanoate	[no description available]	low	0	fatty acid ethyl ester; hexanoate ester	metabolite
butyl acetate	[no description available]	low	0	acetate ester	metabolite
1,4-dioxane	[no description available]	low	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
isoamyl acetate	[no description available]	low	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
ribostamycin	[no description available]	low	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
tramadol	[no description available]	low	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
6-pentylpyrone	[no description available]	low	0	2-pyranones	metabolite
4-methylhistamine	[no description available]	low	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
perfosfamide	[no description available]	low	0	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite
pravastatin	[no description available]	low	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
3-methyl-2-butenal	[no description available]	low	0	enal	metabolite
ethyl 3-hydroxybutyrate	[no description available]	low	0	fatty acid ethyl ester	metabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone	[no description available]	low	0	butenolide	metabolite
n-methylnicotinamide	[no description available]	low	0	pyridinecarboxamide	metabolite
3-aminoisobutyric acid	[no description available]	low	0	amino acid zwitterion; beta-amino acid	metabolite
platanic acid	[no description available]	low	0	hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid	anti-HIV agent; metabolite
2'-deoxyuridylic acid	[no description available]	low	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
gallocatechol	[no description available]	low	0	gallocatechin	antioxidant; metabolite; radical scavenger
1-methylinosine	[no description available]	low	0	inosines	metabolite
dihydrobetulinic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
2-methoxyestradiol	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
3'-cmp	[no description available]	low	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
xanthoxyletin	[no description available]	low	0	coumarins	metabolite
orsellinic acid	[no description available]	low	0	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite
isoimperatorin	[no description available]	low	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
rotenolone	[no description available]	low	0	organic molecular entity	metabolite
seselin	[no description available]	low	0	coumarins	metabolite
perillene	[no description available]	low	0	furans; monoterpenoid	fragrance; metabolite; semiochemical
glycine methyl ester	[no description available]	low	0	glycinyl ester	metabolite
hexadecanamide	[no description available]	low	0	primary fatty amide	metabolite
benzocyclobutene	[no description available]	low	0	carbobicyclic compound	metabolite
9-methyladenine	[no description available]	low	0	methyladenine	metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	low	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
1,3-dimethyluracil	[no description available]	low	0	pyrimidone	metabolite
3-methoxysalicylic acid	[no description available]	low	0	methoxysalicylic acid	metabolite
1,3-dimethyluric acid	[no description available]	low	0	oxopurine	metabolite
leucyltyrosine	[no description available]	low	0	dipeptide	metabolite
3-methylxanthine	[no description available]	low	0	3-methylxanthine	metabolite
leucyl-glycyl-glycine	[no description available]	low	0	tripeptide	metabolite
acetylleucine	[no description available]	low	0	L-leucine derivative; N-acetyl-L-amino acid	metabolite
n-benzoylalanine, (dl-ala)-isomer	[no description available]	low	0	alanine derivative; N-acyl-amino acid	metabolite
dipropylacetamide	[no description available]	low	0	fatty amide	geroprotector; metabolite; teratogenic agent
masoprocol	[no description available]	low	0	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite
7-methyladenine	[no description available]	low	0	methyladenine	metabolite
acetylisoniazid	[no description available]	low	0	carbohydrazide	metabolite
illimaquinone	[no description available]	low	0	monohydroxy-1,4-benzoquinones; prenylquinone	metabolite
coptisine	[no description available]	low	0	alkaloid	metabolite
narciclasine	[no description available]	low	0	phenanthridines	metabolite
lividomycin	[no description available]	low	0	lividomycins	metabolite
dmp 323	[no description available]	low	0	diazepanone; ureas	anti-HIV agent; metabolite
eupolauridine	[no description available]	low	0	naphthyridine derivative	metabolite
zaluzanin C	[no description available]	low	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
2-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine	metabolite
(-)-catechin	[no description available]	low	0	catechin	metabolite
Tormentic acid	[no description available]	low	0	triterpenoid	metabolite
sigmoidin a	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger
xanthosine 5'-triphosphate	[no description available]	low	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
monotropein	[no description available]	low	0	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite
glycyl-histidyl-lysine	[no description available]	low	0	tripeptide	chelator; hepatoprotective agent; metabolite; vulnerary
arjunolic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	antibacterial agent; antifungal agent; antioxidant; metabolite
oxazolidin-2-one	[no description available]	low	0	carbamate ester; oxazolidinone	metabolite
monoethyl phthalate	[no description available]	low	0	ethyl ester; phthalic acid monoester	metabolite
methylimidazoleacetic acid	[no description available]	low	0	imidazoles; monocarboxylic acid	GABA agonist; metabolite
2-(2-aminoethyl)pyridine	[no description available]	low	0	aminoalkylpyridine; primary amine	histamine agonist; metabolite
xanthurenic acid 8-methyl ether	[no description available]	low	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
methyl orsellinate	[no description available]	low	0	hydroxybenzoic acid	metabolite
2,2-di(4-methacryloxyphenyl)propane	[no description available]	low	0	bisphenol; enoate ester	metabolite
sofosbuvir	[no description available]	low	0	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite
3-methyluracil	[no description available]	low	0	nucleobase analogue; pyrimidone	metabolite
1-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
leucyl-alanine	[no description available]	low	0	dipeptide	metabolite
leucyl-leucyl-leucine	[no description available]	low	0	tripeptide	metabolite
3,4-dihydroxyphenylethanol	[no description available]	low	0	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite
3,7-dimethyluric acid	[no description available]	low	0	oxopurine	metabolite; mouse metabolite
alanylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
d-biotin-d-sulfoxide	[no description available]	low	0	biotins; sulfoxide	metabolite
biotin sulfone	[no description available]	low	0	biotins; sulfone	metabolite
asperuloside	[no description available]	low	0	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite
primin	[no description available]	low	0	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite
2-(hydroxymethyl)anthraquinone	[no description available]	low	0	anthraquinone	metabolite
tyrosylleucine	[no description available]	low	0	dipeptide	metabolite
o-methylserine	[no description available]	low	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	metabolite
3,4-dihydroxyphenylglycol	[no description available]	low	0	catechols; tetrol	metabolite; mouse metabolite
2-methylhistamine	[no description available]	low	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
2-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
taraxerol	[no description available]	low	0	pentacyclic triterpenoid; secondary alcohol	metabolite
alpha-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite
3-acetyllupeol	[no description available]	low	0	organic molecular entity	metabolite
lupenone	[no description available]	low	0	triterpenoid	metabolite
glycyltryptophan	[no description available]	low	0	dipeptide	metabolite
monocerin	[no description available]	low	0	hydroxybenzoic acid	metabolite
propionyl-coenzyme a	[no description available]	low	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
alpha-hydroxyisocaproic acid	[no description available]	low	0	2-hydroxy fatty acid; branched-chain fatty acid	metabolite
totarol	[no description available]	low	0	diterpenoid	metabolite
taraxerone	[no description available]	low	0	scalarane sesterterpenoid	metabolite
uvaol	[no description available]	low	0	triterpenoid	metabolite
glycyltyrosine	[no description available]	low	0	dipeptide	metabolite
glycylleucine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
alanyltyrosine	[no description available]	low	0	dipeptide	metabolite
glycyl-l-phenylalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
digoxigenin-mono(digitoxoside)	[no description available]	low	0	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite
thiazolidine-4-carboxylic acid, (r)-isomer	[no description available]	low	0	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite
5,6-dihydrothymine	[no description available]	low	0	pyrimidone	human metabolite; metabolite; mouse metabolite
dehydroabietic acid	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
palmitone	[no description available]	low	0	dialkyl ketone	anticonvulsant; metabolite
1-methylthymine	[no description available]	low	0	methylthymine	metabolite
imidazoleacetic acid	[no description available]	low	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
alanylphenylalanine	[no description available]	low	0	dipeptide	metabolite
murrayanine	[no description available]	low	0	carbazoles	metabolite
girinimbine	[no description available]	low	0	carbazoles	metabolite
tryptophylglycine	[no description available]	low	0	dipeptide	metabolite
canthin-6-one	[no description available]	low	0	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite
glycylaspartic acid	[no description available]	low	0	dipeptide	metabolite
4-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
delta(9)-tetrahydrocannabinolic acid	[no description available]	low	0	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent
3-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
n-glycylglutamic acid	[no description available]	low	0	dipeptide	metabolite
n-caproylglycine	[no description available]	low	0	N-acylglycine	metabolite
diosgenin	[no description available]	low	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
s-2-aminoethyl cysteine	[no description available]	low	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor
4-hydroxycyclophosphamide	[no description available]	low	0	nitrogen mustard; organochlorine compound; phosphorodiamide	alkylating agent; metabolite
alpha-glutamyltryptophan	[no description available]	low	0	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite
malabaricone c	[no description available]	low	0	butanone	metabolite
loliolide	[no description available]	low	0	benzofurans	metabolite
tuberostemonine	[no description available]	low	0	alkaloid	metabolite
pyrrole-3-carboxylic acid	[no description available]	low	0	pyrrolecarboxylic acid	metabolite; Penicillium metabolite
histidylglycine	[no description available]	low	0	dipeptide	metabolite
histidinoalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
quillaic acid	[no description available]	low	0	aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
p-methoxy-n-methylphenethylamine	[no description available]	low	0	aromatic ether; secondary amino compound	metabolite
ecgonine methyl ester	[no description available]	low	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
n-acetylcytidine	[no description available]	low	0	acetamides; cytidines; secondary carboxamide	metabolite
4-hydroxydebrisoquin	[no description available]	low	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
hypotaurine	[no description available]	low	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
hc toxin	[no description available]	low	0	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin
versiconal hemiacetal acetate	[no description available]	low	0	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite
selenodiglutathione	[no description available]	low	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
coprine	[no description available]	low	0	cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin
aristolochic acid ii	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
exp3174	[no description available]	low	0	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite
ribonolactone	[no description available]	low	0	butan-4-olide; ribonolactone	metabolite
sulfamethoxazole hydroxylamine	[no description available]	low	0	isoxazoles; sulfonamide	allergen; metabolite
androsterone glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
tephrosin	[no description available]	low	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
sapintoxin d	[no description available]	low	0	phorbol ester; tertiary alpha-hydroxy ketone	fluorescent probe; metabolite
amarogentin	[no description available]	low	0	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite
taraxasterol	[no description available]	low	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite
flavoglaucin	[no description available]	low	0	hydroquinones	metabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone	[no description available]	low	0	benzofurans	metabolite
dioscin	[no description available]	low	0	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite
maculosin	[no description available]	low	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
n(4)-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
n-acetylputrescine	[no description available]	low	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
4'-demethylpodophyllotoxin	[no description available]	low	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite
lysicamine	[no description available]	low	0	alkaloid antibiotic; oxoaporphine alkaloid	metabolite
procyanidin b2	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite
aromadedrin	[no description available]	low	0	4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone	metabolite
3-methylthymine	[no description available]	low	0	methylthymine; pyrimidone	metabolite
tyrosyl-glycyl-glycine	[no description available]	low	0	tripeptide zwitterion; tripeptide	metabolite
cyclic adp-ribose	[no description available]	low	0	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist
glycylglutamine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite; protective agent
alanylglutamine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
naadp	[no description available]	low	0	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule
procyanidin b5	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite
proanthocyanidin a2	[no description available]	low	0	hydroxyflavan; proanthocyanidin	angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite
dihydrosanguinarine	[no description available]	low	0	benzophenanthridine alkaloid	antifungal agent; metabolite
tetrahydrocurcumin	[no description available]	low	0	beta-diketone; diarylheptanoid; polyphenol	metabolite
eriodictyol 7-glucuronide	[no description available]	low	0	3'-hydroxyflavonoid; beta-D-glucosiduronic acid	EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite
beta-lipotropin, gln(9)-	[no description available]	low	0	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite
4-nitrososulfamethoxazole	[no description available]	low	0	isoxazoles; nitroso compound; sulfonamide	allergen; metabolite
protosappanin a	[no description available]	low	0	catechols	metabolite
3,3'-neotrehalosadiamine	[no description available]	low	0	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite
salvinorin a	[no description available]	low	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
cyanidin	[no description available]	low	0	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent
yakuchinone-a	[no description available]	low	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
marsupsin	[no description available]	low	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
3-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
eckol	[no description available]	low	0	phlorotannin	antioxidant; metabolite
procyanidin b3	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite
aclacinomycin	[no description available]	low	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
phenylalanylarginine	[no description available]	low	0	dipeptide	metabolite
prolylarginine	[no description available]	low	0	dipeptide	metabolite
5-methoxytryptophan	[no description available]	low	0	L-alpha-amino acid zwitterion; L-tryptophan derivative	metabolite
phenylalanylglutamate	[no description available]	low	0	dipeptide	metabolite
aspartylglycine	[no description available]	low	0	dipeptide	metabolite
aspartylglutamate	[no description available]	low	0	dipeptide	metabolite
5-hydroxypipecolic acid	[no description available]	low	0	piperidinemonocarboxylic acid	metabolite
prolyl-tyrosine	[no description available]	low	0	dipeptide	metabolite
histidylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
phenylalanyl-glycyl-glycine	[no description available]	low	0	tripeptide	metabolite
leucylarginine	[no description available]	low	0	dipeptide	metabolite
pendolmycin	[no description available]	low	0	indoles	metabolite
atractylenolide iii	[no description available]	low	0	naphthofuran	metabolite
malvidin	[no description available]	low	0	5-hydroxyanthocyanidin	biological pigment; metabolite
5-hydroxytryptoline	[no description available]	low	0	beta-carbolines	metabolite
perlolyrine	[no description available]	low	0	organic molecular entity	metabolite
endocrocin	[no description available]	low	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
sulochrin	[no description available]	low	0	benzophenones; carboxylic ester; phenols	metabolite
i-677	[no description available]	low	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite
isohomovanillic acid	[no description available]	low	0	aromatic ether; phenols; phenylacetic acids	metabolite
4-amino-2-methoxypyrimidine	[no description available]	low	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
asimilobine	[no description available]	low	0	aporphine alkaloid	metabolite
aristolochic acid D	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
leukodopachrome	[no description available]	low	0	hydroxy monocarboxylic acid; indoles	metabolite
ampelopsin	[no description available]	low	0	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite
pinusolide	[no description available]	low	0	diterpene lactone	metabolite
2,4,5-trihydroxypentanoic acid gamma-lactone	[no description available]	low	0	ribonolactone	metabolite
hydroxysitosterol	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite
jolkinolide a	[no description available]	low	0	diterpene lactone	metabolite
jolkinolide b	[no description available]	low	0	diterpene lactone	metabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine	[no description available]	low	0	1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0	metabolite
dopamine quinone	[no description available]	low	0	1,2-benzoquinones; primary amino compound	metabolite
platycodin d	[no description available]	low	0	triterpenoid saponin	metabolite
frenolicin b	[no description available]	low	0	benzoisochromanequinone; p-quinones	metabolite
4-oxopentanal	[no description available]	low	0	ketoaldehyde	metabolite
my 12-62c	[no description available]	low	0	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule
3,4-dihydroxyphenylpyruvic acid	[no description available]	low	0	2-oxo monocarboxylic acid	metabolite
proximadiol	[no description available]	low	0	eudesmane sesquiterpenoid	metabolite
aristolochic acid c	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
phenylacetyl-coenzyme a	[no description available]	low	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
taxusin	[no description available]	low	0	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite
confertin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
beta-methylcrotonylglycine	[no description available]	low	0	N-acylglycine	metabolite
tracheloside	[no description available]	low	0	glycoside; lignan	metabolite
maytenonic acid	[no description available]	low	0	triterpenoid	metabolite
procyanidin C1	[no description available]	low	0	hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite
3-methyleneindolenine	[no description available]	low	0	indoles	metabolite
isopulegol	[no description available]	low	0	p-menthane monoterpenoid	metabolite
kadsurin	[no description available]	low	0	tannin	metabolite
lysylproline	[no description available]	low	0	dipeptide	metabolite
5-o-methylembelin	[no description available]	low	0	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite
dihydrodaidzein	[no description available]	low	0	hydroxyisoflavanone	metabolite
4'-o-methylepigallocatechin	[no description available]	low	0	catechin	metabolite
corynoline	[no description available]	low	0	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite
brevianamide f	[no description available]	low	0	dipeptide; indoles; pyrrolopyrazine	metabolite
ergolide	[no description available]	low	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite
4-sulfocatechol	[no description available]	low	0	dihydroxybenzenesulfonic acid	metabolite
histidylleucine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
7-methoxyheptaphylline	[no description available]	low	0	carbazoles	metabolite
phenylalanylserine	[no description available]	low	0	dipeptide	metabolite
phellamurin	[no description available]	low	0	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite
prolylglutamic acid	[no description available]	low	0	dipeptide	metabolite
nantenine	[no description available]	low	0	oxoaporphine alkaloid	metabolite
hydrastine	[no description available]	low	0	isoquinolines	metabolite
butyrylcarnitine	[no description available]	low	0	O-butanoylcarnitine; saturated fatty acyl-L-carnitine	metabolite
2-hydroxyestradiol	[no description available]	low	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
aromaticin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
n-methylcorydaldine	[no description available]	low	0	quinolone	metabolite
2-amino-3,3-dimethylbutanoic acid	[no description available]	low	0	non-proteinogenic alpha-amino acid	metabolite
pentabromopseudilin	[no description available]	low	0	pyrroles	metabolite
rocaglamide	[no description available]	low	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
dentatin	[no description available]	low	0	coumarins	metabolite
acronine	[no description available]	low	0	acridone derivatives; alkaloid	antineoplastic agent; metabolite
enmein	[no description available]	low	0	delta-lactone	metabolite
5-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
aglafoline	[no description available]	low	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
isomaltose	[no description available]	low	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
deoxyglucose	[no description available]	low	0	2-deoxy-D-glucose	metabolite
vestitone	[no description available]	low	0	(3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone	antibacterial agent; metabolite
pantetheine	[no description available]	low	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
salicin	[no description available]	low	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
n-formylmethionine	[no description available]	low	0	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite
fucose	[no description available]	low	0	deoxygalactose	metabolite
saponarin	[no description available]	low	0	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite
hippeastrine	[no description available]	low	0	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite
cyanidin 3-o-beta-d-glucopyranoside	[no description available]	low	0	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite
silychristin	[no description available]	low	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
peonidin	[no description available]	low	0	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite
convallatoxin	[no description available]	low	0	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent
furostanol i	[no description available]	low	0	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite
decursinol	[no description available]	low	0	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
abyssinone v	[no description available]	low	0	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite
davidigenin	[no description available]	low	0	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite
farrerol	[no description available]	low	0	organic molecular entity	metabolite
cleomiscosin a	[no description available]	low	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
vicenin ii	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	metabolite
eugeniin	[no description available]	low	0	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
knipholone	[no description available]	low	0	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite
alpha bitter acid	[no description available]	low	0	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite
acanthoside b	[no description available]	low	0	beta-D-glucoside	metabolite
chlorpromazine n-oxide	[no description available]	low	0	organochlorine compound; phenothiazines; tertiary amine oxide	metabolite
3-hydroxyaspartic acid, (threo-l)-isomer	[no description available]	low	0	3-hydroxy-L-aspartic acid	metabolite
cyclo(l-phe-l-pro)	[no description available]	low	0	organic molecular entity	metabolite
pyochelin	[no description available]	low	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
surfactin c	[no description available]	low	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant
petunidin-3-glucoside	[no description available]	low	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline a	[no description available]	low	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c	[no description available]	low	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
latrunculin a	[no description available]	low	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
aglucovancomycin b	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol	metabolite
(S)-ATPA	[no description available]	low	0	isoxazoles; non-proteinogenic L-alpha-amino acid	metabolite
epothilone a	[no description available]	low	0	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator
isoleucylvaline	[no description available]	low	0	dipeptide	metabolite
afimoxifene	[no description available]	low	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
3-hydroxyhippuric acid	[no description available]	low	0	N-acylglycine; phenols	metabolite
conidendrin	[no description available]	low	0	lignan	metabolite
bevirimat	[no description available]	low	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
azaserine	[no description available]	low	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid	[no description available]	low	0	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite
glycyrin	[no description available]	low	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
reynosin	[no description available]	low	0	organic heterotricyclic compound; sesquiterpene lactone	metabolite
moronic acid	[no description available]	low	0	pentacyclic triterpenoid	anti-HIV agent; anti-HSV-1 agent; metabolite
maltitol	[no description available]	low	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
Phe-Tyr	[no description available]	low	0	dipeptide	metabolite
2-acetyl-1-pyrroline	[no description available]	low	0	acylimine; methyl ketone; pyrroline	flavouring agent; Maillard reaction product; metabolite
methyl indole-3-carboxylate	[no description available]	low	0	indoles; methyl ester	metabolite
camalexin	[no description available]	low	0	1,3-thiazoles; indole phytoalexin	metabolite
komaroviquinone	[no description available]	low	0	bridged compound; lactol; p-quinones; tetracyclic diterpenoid	metabolite; trypanocidal drug
2-hydroxycinnamic acid	[no description available]	low	0	2-coumaric acid; phenols	antioxidant; metabolite
16-epivincamine	[no description available]	low	0	alkaloid	metabolite
diethyl fumarate	[no description available]	low	0	diester	metabolite
1-acetyl-beta-carboline	[no description available]	low	0	harmala alkaloid	metabolite
propolin c	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
xanthohumol	[no description available]	low	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
butylidenephthalide	[no description available]	low	0	2-benzofurans; gamma-lactone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite
imidazol-1-ylacetic acid	[no description available]	low	0	imidazolyl carboxylic acid	metabolite
captax	[no description available]	low	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
n-acetyltryptophan	[no description available]	low	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
cinnamoylglycine	[no description available]	low	0	N-acylglycine	metabolite
n-benzoylalanine	[no description available]	low	0	N-acyl-L-alanine; N-benzoylalanine	metabolite
oxypeucadanin, (r)-(+)-isomer	[no description available]	low	0	furanocoumarin	metabolite
thiouracil	[no description available]	low	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
allylthiourea	[no description available]	low	0	thioureas	metabolite
n-glycylalanine	[no description available]	low	0	dipeptide	metabolite
caryophyllene oxide	[no description available]	low	0	epoxide	metabolite
fumonisin b1	[no description available]	low	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
olivetolic acid	[no description available]	low	0	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
hirsutine, (16e,20beta)-isomer	[no description available]	low	0	alkaloid	metabolite
Ganodermanontriol	[no description available]	low	0	triterpenoid	metabolite
dieckol	[no description available]	low	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
glycylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
tamoxifen n-oxide	[no description available]	low	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
7-deacetylgedunin	[no description available]	low	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
galactose-6-phosphate	[no description available]	low	0	D-galactose 6-phosphate	metabolite
nicotine n-glucuronide	[no description available]	low	0	iminium betaine; N-glycosylpyridine	metabolite
isorhyncophylline	[no description available]	low	0	indolizines	metabolite
cysteinylproline	[no description available]	low	0	dipeptide	metabolite
glycyllysine	[no description available]	low	0	dipeptide	metabolite
methionyltryptophan	[no description available]	low	0	dipeptide	metabolite
ascorbigen	[no description available]	low	0	indolyl carbohydrate	metabolite
pimeloyl-coenzyme a	[no description available]	low	0	omega-carboxyacyl-CoA	metabolite
1-salicylate glucuronide	[no description available]	low	0	benzoic acids; beta-D-glucosiduronic acid	metabolite
isoschaftoside	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	metabolite
croomine	[no description available]	low	0	alkaloid	metabolite
ungeremine	[no description available]	low	0	organic molecular entity	metabolite
seryl-proline	[no description available]	low	0	dipeptide	metabolite
4-hydroxy-5-methyl-3(2h)-furanone	[no description available]	low	0	cyclic ketone; enol; furans	metabolite
annomontine	[no description available]	low	0	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite
ginkgetin	[no description available]	low	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
calceolarioside b	[no description available]	low	0	hydroxycinnamic acid	metabolite
eupatilin	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
quercetin 3-o-glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; quercetin O-glycoside	antidepressant; antioxidant; metabolite
australifungin	[no description available]	low	0	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite
catechin gallate	[no description available]	low	0	flavans; gallate ester; polyphenol	metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
calcitriol	[no description available]	low	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
vomifoliol	[no description available]	low	0	(6S)-vomifoliol	metabolite; phytotoxin
feruloyltyramine	[no description available]	low	0	tyramines	metabolite
luteolin-7-glucuronide	[no description available]	low	0	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite
dexmedetomidine	[no description available]	low	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite
6-ketoprostaglandin e1	[no description available]	low	0	prostaglandins E	metabolite; platelet aggregation inhibitor
lipoxin a4	[no description available]	low	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
harmine	[no description available]	low	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
naringenin chalcone	[no description available]	low	0	chalcones; polyphenol	anti-allergic agent; anti-inflammatory agent; metabolite
cornexistin	[no description available]	low	0	cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone	herbicide; metabolite
daphnoretin	[no description available]	low	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
Rhynchophylline	[no description available]	low	0	indolizines	metabolite
esculin	[no description available]	low	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
mammeisin	[no description available]	low	0	neoflavonoid	metabolite
ostruthin	[no description available]	low	0	terpene lactone	metabolite
costunolide	[no description available]	low	0	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite
caryophyllene	[no description available]	low	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
phaseic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid	metabolite
agathisflavone	[no description available]	low	0	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite
cupressuflavone	[no description available]	low	0	biflavonoid; hydroxyflavone; ring assembly	EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger
bellidifolin	[no description available]	low	0	polyphenol; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite
demethylbellidifolin	[no description available]	low	0	tetrol; xanthones	antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger
hinokiflavone	[no description available]	low	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
euxanthone	[no description available]	low	0	phenols; xanthones	metabolite; plant metabolite
norswertianolin	[no description available]	low	0	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
swerchirin	[no description available]	low	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
isoscutellarein	[no description available]	low	0	tetrahydroxyflavone	metabolite
patuletin	[no description available]	low	0	flavonols; monomethoxyflavone; pentahydroxyflavone	analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite
robustaflavone	[no description available]	low	0	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite
scutellarein	[no description available]	low	0	tetrahydroxyflavone	metabolite
tricin	[no description available]	low	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
astringin	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite
polydatin	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
epsilon-viniferin	[no description available]	low	0	1-benzofurans; polyphenol; stilbenoid	metabolite
irilone	[no description available]	low	0	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite
licoisoflavone a	[no description available]	low	0	7-hydroxyisoflavones	metabolite
10-deoxymethynolide	[no description available]	low	0	macrolide	metabolite
veronicastroside	[no description available]	low	0	disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone	antibacterial agent; metabolite
josamycin	[no description available]	low	0	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite
n,n-dimethylsphingenine	[no description available]	low	0	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite
4-hydroxyestradiol	[no description available]	low	0	4-hydroxy steroid	metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
9-oxo-10,12-octadecadienoic acid	[no description available]	low	0	enone; oxooctadecadienoic acid	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite
13,14-dihydro-15-ketoprostaglandin d2	[no description available]	low	0	prostaglandins D	metabolite
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	low	0	ketone; prostaglandins Falpha	metabolite
2,3-dinor-6-ketoprostaglandin f1alpha	[no description available]	low	0	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer	[no description available]	low	0	3beta-sterol	anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite
calcifediol	[no description available]	low	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
oleyl alcohol	[no description available]	low	0	fatty alcohol 18:1; long-chain primary fatty alcohol	metabolite; nonionic surfactant
fortimicin a	[no description available]	low	0	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite
3',4',7-trihydroxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
15-deoxy-delta(12,14)-prostaglandin j2	[no description available]	low	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
ciguatoxins	[no description available]	low	0	ciguatoxin	metabolite
12-hydroxy-5,8,10-heptadecatrienoic acid	[no description available]	low	0	hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid	metabolite
clausine e	[no description available]	low	0	carbazoles	metabolite
ethyl caffeate	[no description available]	low	0	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite
heptaphylline	[no description available]	low	0	carbazoles	metabolite
isorhamnetin-3-o-galactoside	[no description available]	low	0	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
kaempferol-3-o-rutinoside	[no description available]	low	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
ligustilide	[no description available]	low	0	butenolide	metabolite
sappanchalcone	[no description available]	low	0	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite
methyl brevifolincarboxylate	[no description available]	low	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
nostocarboline	[no description available]	low	0	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide	[no description available]	low	0	hydroxycinnamic acid	metabolite
macluraxanthone b	[no description available]	low	0	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite
alternariol	[no description available]	low	0	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin
cis-3-hexenyl acetate	[no description available]	low	0	acetate ester; olefinic compound	metabolite
pipercallosidine	[no description available]	low	0	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide	[no description available]	low	0	hydroxycinnamic acid	metabolite
7-hydroxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite
flazin	[no description available]	low	0	harmala alkaloid	metabolite
11-hydroxynoracronycine	[no description available]	low	0	acridines	metabolite
jaceosidin	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite
salutaridine	[no description available]	low	0	morphinane alkaloid	anti-HBV agent; metabolite
artocarpin lectin	[no description available]	low	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
fumarates	[no description available]	low	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
demethoxycurcumin	[no description available]	low	0	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite
bergamottin	[no description available]	low	0	furanocoumarin	metabolite
alanyl-alanyl-alanine	[no description available]	low	0	tripeptide	metabolite
24-ethyl-4-cholesten-3-one	[no description available]	low	0	C29-steroid; steroid	metabolite
myricetin 3-o-glucuronide	[no description available]	low	0	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite
phenylalanylalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
alpinumisoflavone	[no description available]	low	0	isoflavanones	metabolite
alpha-aspartylalanine	[no description available]	low	0	dipeptide	metabolite
arglabin	[no description available]	low	0	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
ap 10	[no description available]	low	0	diterpene lactone	metabolite
quercetin 7-rhamnoside	[no description available]	low	0	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite
albonoursin	[no description available]	low	0	2,5-diketopiperazines	metabolite
oroidin	[no description available]	low	0	pyrroles; secondary carboxamide	metabolite
apratoxin a	[no description available]	low	0	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite
(-)-catechin-3-O-gallate	[no description available]	low	0	flavans; gallate ester; polyphenol	metabolite
aspartyllysine	[no description available]	low	0	dipeptide	metabolite
arginyllysine	[no description available]	low	0	dipeptide	metabolite
hygromycin a	[no description available]	low	0	hydroxycinnamic acid	metabolite
latrunculin b	[no description available]	low	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
falcarindiol	[no description available]	low	0	organic molecular entity	metabolite
dehydroergosterol	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	biomarker; metabolite
n-oleoylglycine	[no description available]	low	0	fatty amide; N-acylglycine 18:1	metabolite
rhizoxin	[no description available]	low	0	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite
manoalide	[no description available]	low	0	butenolide; lactol; sesterterpenoid	EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
concanamycin a	[no description available]	low	0	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	low	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
thunberginol f	[no description available]	low	0	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite
pyracrenic acid	[no description available]	low	0	triterpenoid	metabolite
eicosa-11,14-dienoic acid, (z,z)-isomer	[no description available]	low	0	icosadienoic acid	metabolite
yuanhuadine	[no description available]	low	0	diterpenoid	metabolite
tiglylglycine	[no description available]	low	0	N-acylglycine	metabolite
rhodiocyanoside a	[no description available]	low	0	aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative	anti-allergic agent; metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide	[no description available]	low	0	fatty amide	metabolite
mycothiazole	[no description available]	low	0	thiazoles	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
linderalactone	[no description available]	low	0	butenolide	metabolite
pros-methylimidazoleacetic acid	[no description available]	low	0	imidazolyl carboxylic acid	metabolite
cellobionic acid	[no description available]	low	0	carbohydrate acid; disaccharide	metabolite
pseudopteroxazole	[no description available]	low	0	tetralins	metabolite
sophoraflavanone a	[no description available]	medium	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite
stigmasterol 3-o-beta-d-glucopyranoside	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite
17-hydroxyjolkinolide b	[no description available]	low	0	diterpene lactone	metabolite
sq-23377	[no description available]	low	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
corosolic acid	[no description available]	low	0	triterpenoid	metabolite
cyclo(prolyl-valyl)	[no description available]	low	0	piperazinone	metabolite
phenylalanylglycine	[no description available]	low	0	dipeptide	metabolite
leucyl-phenylalanine	[no description available]	low	0	dipeptide	metabolite
glutamylalanine	[no description available]	low	0	dipeptide	metabolite
glutaminyl-glycine	[no description available]	low	0	dipeptide	metabolite
methionylglycine	[no description available]	low	0	dipeptide	metabolite
valylleucine	[no description available]	low	0	dipeptide	metabolite
phenylalanyl-valine	[no description available]	low	0	dipeptide	metabolite
cyclo(glycyltryptophyl)	[no description available]	low	0	indoles	metabolite
alanylglycine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
valyltyrosine	[no description available]	low	0	dipeptide	metabolite
alpha-glutamyltryptophan	[no description available]	low	0	dipeptide	metabolite
lysylglutamic acid	[no description available]	low	0	dipeptide	metabolite
methionylglutamic acid	[no description available]	low	0	dipeptide	metabolite
seryl-histidine	[no description available]	low	0	dipeptide	metabolite
arginyl-glutamine	[no description available]	low	0	dipeptide	metabolite
phenylalanylproline	[no description available]	low	0	dipeptide	metabolite
lysylglycine	[no description available]	low	0	dipeptide	metabolite
glycylhistidine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
kopsinine	[no description available]	low	0	indole alkaloid	metabolite
cyclo(leucyl-phenylalanyl)	[no description available]	low	0	2,5-diketopiperazines	metabolite
prolylisoleucine	[no description available]	low	0	dipeptide	metabolite
isoleucyl-tyrosine	[no description available]	low	0	dipeptide	metabolite
prolyl-serine	[no description available]	low	0	dipeptide	metabolite
grayanotoxin i	[no description available]	low	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin
19-norandrosterone	[no description available]	low	0	17-oxo steroid	metabolite
s-allylcysteine	[no description available]	low	0	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite
oleandrigenin	[no description available]	low	0	14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
valyl-prolyl-proline	[no description available]	low	0	tripeptide	metabolite
prolylvaline	[no description available]	low	0	dipeptide	metabolite
palbinone	[no description available]	low	0	16-oxo steroid	metabolite
pseurotin	[no description available]	low	0	azaspiro compound; lactam; oxaspiro compound	metabolite
xenovulene a	[no description available]	low	0	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite
fr 148083	[no description available]	low	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
LL-Z1640-1	[no description available]	low	0	macrolide; resorcinols	metabolite
9-methoxycanthin-6-one	[no description available]	low	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
n-acetylcarnosine	[no description available]	low	0	dipeptide	metabolite
cholest-5-en-3-one	[no description available]	low	0	3-oxo-Delta(5)-steroid; cholestanoid	metabolite
kaempferol 3-O-beta-L-glucopyranoside	[no description available]	low	0	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite
rubraxanthone	[no description available]	low	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
ubiquinol	[no description available]	low	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
landomycin a	[no description available]	low	0	oligosaccharide	metabolite
ancistroealaine a	[no description available]	low	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
cerberin	[no description available]	low	0	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite
actein	[no description available]	low	0	triterpenoid	metabolite
araloside a	[no description available]	low	0	triterpenoid saponin	metabolite
ageladine a	[no description available]	low	0	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite
corynoxine b	[no description available]	low	0	indolizines	metabolite
kaempferol 7-o-glucoside	[no description available]	low	0	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
delphinidin 3-sambubioside	[no description available]	low	0	anthocyanidin 3-O-beta-D-sambubioside	apoptosis inducer; metabolite
nodosin	[no description available]	low	0	delta-lactone	metabolite
protylonolide	[no description available]	low	0	diol; enone; macrolide	metabolite
arisugacin	[no description available]	low	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
nymphaeol c	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
thonningianin a	[no description available]	low	0	tannin	metabolite
cephalostatin i	[no description available]	low	0	oxo steroid	metabolite
papyriflavonol a	[no description available]	low	0	3'-hydroxyflavonoid; flavonols; pentahydroxyflavone	EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite
lactonamycin	[no description available]	low	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
myrsinoic acid b	[no description available]	low	0	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite
betulone	[no description available]	low	0	triterpenoid	metabolite
eckstolonol	[no description available]	low	0	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger
manassantin b	[no description available]	low	0	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite
gitaloxin	[no description available]	low	0	cardenolide glycoside	metabolite
paeonilide	[no description available]	low	0	benzoate ester	metabolite
dihydroxanthohumol	[no description available]	low	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
corynoxine	[no description available]	low	0	indolizines	metabolite
7-phloroeckol	[no description available]	low	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	[no description available]	low	0	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite
Sphaeropsidin C	[no description available]	low	0	tricyclic diterpenoid	metabolite
kelampayoside a	[no description available]	low	0	glycoside	metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite
nigranoic acid	[no description available]	low	0	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite
esculeoside a	[no description available]	low	0	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite
artemisic acid	[no description available]	low	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite
26-deoxyactein	[no description available]	low	0	triterpenoid	metabolite
5-formylcytosine	[no description available]	low	0	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite
migrastatin	[no description available]	low	0	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite
Lyngbic acid	[no description available]	low	0	long-chain fatty acid	metabolite
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	[no description available]	low	0	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
bielschowskysin	[no description available]	low	0	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite
procyanidin b1	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite
cyclo(tyrosyl-tyrosyl)	[no description available]	low	0	cyclo(tyrosyl-tyrosyl)	metabolite
spiculoic acid a	[no description available]	low	0	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite
myrocin a	[no description available]	low	0	tertiary alcohol	metabolite
3'-o-methylepicatechin	[no description available]	low	0	catechin	metabolite
episilvestrol	[no description available]	low	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
protopanaxatriol	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid	metabolite
laurinterol	[no description available]	low	0	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
Pseudopterosin G-J aglycone	[no description available]	low	0	diterpenoid	metabolite
ceratamine a	[no description available]	low	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
liphagal	[no description available]	low	0	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite
pulsatilla saponin d	[no description available]	low	0	triterpenoid	metabolite
diversonol	[no description available]	low	0	phenols; tertiary alcohol	antibacterial agent; metabolite
neotuberostemonine	[no description available]	low	0	alkaloid	metabolite
drymaritin	[no description available]	low	0	enol ether; enone; indole alkaloid; organic heterotetracyclic compound	anti-HIV agent; metabolite
lyoniresinol	[no description available]	low	0	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite
silvestrol	[no description available]	low	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
ginsenoside ro	[no description available]	low	0	triterpenoid saponin	metabolite
diosgenin glucoside	[no description available]	low	0	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite
pyripyropene a	[no description available]	low	0	organic heterotetracyclic compound; sesquiterpenoid	acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite
3-epioleanolic acid	[no description available]	low	0	triterpenoid	metabolite
leucylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
R-(-)-actinodaphnine	[no description available]	low	0	aporphine alkaloid	metabolite
cytotrienin a	[no description available]	low	0	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite
methylamphotericin b	[no description available]	low	0	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite
2'-methoxykurarinone	[no description available]	medium	0	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite
verproside	[no description available]	low	0	glycoside	metabolite
verminoside	[no description available]	low	0	hydroxycinnamic acid	metabolite
minecoside	[no description available]	low	0	hydroxycinnamic acid	metabolite
(R)-(+)-6',7'-dihydroxybergamottin	[no description available]	low	0	furanocoumarin	metabolite
lapidilectine b	[no description available]	low	0	indolyl carboxylic acid	metabolite
batzelladine a	[no description available]	low	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
alloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
longipinene	[no description available]	low	0	alpha-longipinene	metabolite
parkeol	[no description available]	low	0	3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid	metabolite
rutundic acid	[no description available]	low	0	triterpenoid	metabolite
a-factor (streptomyces)	[no description available]	low	0	butan-4-olide; primary alcohol	metabolite
taraxasteryl acetate	[no description available]	low	0	triterpenoid	metabolite
chikusetsu saponin iva	[no description available]	low	0	triterpenoid saponin	metabolite
xestoaminol c	[no description available]	low	0	amino alcohol; sphingoid	metabolite
malyngamide A	[no description available]	low	0	dicarboximide	metabolite
simalikalactone D	[no description available]	low	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
friedelane	[no description available]	low	0	triterpene	metabolite
shamixanthone	[no description available]	low	0	cyclic ketone; phenols; pyranoxanthene	metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	EpETE	metabolite
chaetominine	[no description available]	low	0	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite
schweinfurthin g	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
salmon calcitonin	[no description available]	low	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
complestatin	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite
neuroprotectin a	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite
alx-0600	[no description available]	low	0	polypeptide	antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent
schweinfurthin f	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
antrocamphin a	[no description available]	low	0	methoxybenzenes	anti-inflammatory agent; metabolite
respirantin	[no description available]	low	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
streptobiosamine	[no description available]	low	0	amino disaccharide	metabolite
interiotherin b	[no description available]	low	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
succinyladenosine	[no description available]	low	0	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite
6-tuliposide a	[no description available]	low	0	6-O-acyl-D-glucose; homoallylic alcohol	allergen; metabolite
glycochenodeoxycholate-3-sulfate	[no description available]	low	0	7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate	metabolite
wewakazole	[no description available]	low	0	cyclic peptide	metabolite
spongia-13(16),14-dien-19-oic acid	[no description available]	low	0	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite
Icariside E4	[no description available]	low	0	benzofurans	metabolite
lucidenic acid n	[no description available]	low	0	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
dihydroagarofuran	[no description available]	low	0	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite
23-epi-26-deoxyactein	[no description available]	low	0	triterpenoid	metabolite
23-hydroxybetulinic acid	[no description available]	low	0	triterpenoid	metabolite
bromophycolide a	[no description available]	low	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
2-acetamidoglucal	[no description available]	low	0	acetamides; glycal derivative	metabolite
diorcinol	[no description available]	low	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
caribenol a	[no description available]	low	0	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite
halisulfate 1	[no description available]	low	0	organic molecular entity	metabolite
6-O-feruloylcatalpol	[no description available]	low	0	hydroxycinnamic acid	metabolite
grassypeptolide	[no description available]	low	0	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite
essramycin	[no description available]	low	0	triazolopyrimidines	metabolite
ainsliadimer a	[no description available]	low	0	sesquiterpene lactone; spiro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
salvileucalin b	[no description available]	low	0	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite
ciliatamide a	[no description available]	low	0	caprolactams; lipopeptide	antileishmanial agent; metabolite
etnangien	[no description available]	low	0	hydroxy monocarboxylic acid; macrolide antibiotic	antibacterial agent; metabolite
latrunculol a	[no description available]	low	0	macrolide	metabolite
N-trans-sinapoyltyramine	[no description available]	low	0	hydroxycinnamic acid	metabolite
lycojapodine a	[no description available]	low	0	alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound	anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
epi-maslinic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
eoxin c4	[no description available]	low	0	eoxin; leukotriene	metabolite
brartemicin	[no description available]	low	0	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite
Majusculamide AB	[no description available]	low	0	amino acid amide	metabolite
7,8-dihydroxyflavanone	[no description available]	medium	0	dihydroxyflavanone	antineoplastic agent; metabolite
antcin a	[no description available]	low	0	ergostanoid	metabolite
integric acid	[no description available]	low	0	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite
vanilloloside	[no description available]	low	0	glycoside	metabolite
2,3-dihydro-3beta-O-sulfate withaferin A	[no description available]	low	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite
dicranin	[no description available]	low	0	acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid	antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite
leachianone a	[no description available]	low	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite
hordatine a	[no description available]	low	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
englerin a	[no description available]	low	0	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite
monanchocidin	[no description available]	low	0	organic molecular entity	metabolite
eurycomanone	[no description available]	low	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite
sphaeropsidin a	[no description available]	low	0	gamma-lactone	metabolite
gardenoside	[no description available]	low	0	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite
landomycin d	[no description available]	low	0	anthraquinone	metabolite
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite
antcin k	[no description available]	low	0	bile acid	metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist
shizukaol B	[no description available]	low	0	triterpenoid	metabolite
shizukaol f	[no description available]	low	0	triterpenoid	metabolite
calicheamicin gamma(1)i	[no description available]	low	0	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite
staphyloxanthin	[no description available]	low	0	apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll	antioxidant; biological pigment; metabolite; virulence factor
sm 1 peptide	[no description available]	low	0	acetate ester; ergot alkaloid	metabolite
mycocyclosin	[no description available]	low	0	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite
callipeltin a	[no description available]	low	0	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite
vinylamycin	[no description available]	low	0	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite
promegestone	[no description available]	low	0	terpene lactone	metabolite
lancifodilactone g	[no description available]	low	0	cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid	anti-HIV agent; metabolite
rediocide a	[no description available]	low	0	diterpenoid; epoxide; ortho ester; terpene lactone	insecticide; metabolite
lasiokaurin	[no description available]	low	0	kaurane diterpenoid	metabolite
longikaurin a	[no description available]	low	0	kaurane diterpenoid	metabolite
ponicidin	[no description available]	low	0	dioxanes	metabolite
(Z)-6,6',7,3'a-Diligustilide	[no description available]	low	0	butenolide	metabolite
suvanine	[no description available]	low	0	organic molecular entity	metabolite
shizukaol d	[no description available]	low	0	triterpenoid	metabolite
thailandepsin a	[no description available]	low	0	cyclodepsipeptide	metabolite
nordidemnin b	[no description available]	low	0	didemnin	metabolite
4-formylaminooxyvinylglycine	[no description available]	low	0	non-proteinogenic alpha-amino acid	metabolite
platycoside e	[no description available]	low	0	triterpenoid saponin	metabolite
leuconoxine	[no description available]	low	0	alkaloid	metabolite
epidermin	[no description available]	low	0	macrocycle; type A lantibiotic	antibacterial agent; metabolite
surfactin A	[no description available]	low	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant
myriaporone 3	[no description available]	low	0	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite
avenacoside b	[no description available]	low	0	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite
3-methylglutarylcarnitine	[no description available]	low	0	O-methylglutarylcarnitine	metabolite
pivaloylcarnitine	[no description available]	low	0	C5-acylcarnitine	metabolite
levoleucovorin	[no description available]	low	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
7,8-dihydroneopterin	[no description available]	low	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine monophosphate	[no description available]	low	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine	[no description available]	low	0	methyl ketone; pyrimidodiazepine	metabolite
dyspropterin	[no description available]	low	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
2'-o-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
allopurinol riboside	[no description available]	low	0	nucleoside analogue	metabolite
norclozapine	[no description available]	low	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
7-methylguanosine	[no description available]	low	0	methylguanosine; organic cation	metabolite
3'-o-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
primapterin	[no description available]	low	0	biopterins	metabolite
7-methylinosine	[no description available]	low	0	inosines; organic cation	metabolite
marineosin a	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
marineosin b	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
dihydrolipoic acid	[no description available]	low	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
hydroquinone	[no description available]	low	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
n-acetylserotonin	[no description available]	low	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pqq cofactor	[no description available]	low	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
putrescine	[no description available]	low	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
spermine	[no description available]	low	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
taurine	[no description available]	low	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
isopentenyl pyrophosphate	[no description available]	low	0	prenol phosphate	antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
5-methoxytryptamine	[no description available]	low	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
amifostine anhydrous	[no description available]	low	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
benphothiamine	[no description available]	low	0	aminopyrimidine; formamides; organic phosphate; thioester	antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1
caffeic acid	[no description available]	low	0	catechols; hydroxycinnamic acid	antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
carcinine	[no description available]	low	0	beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound	antioxidant; crustacean metabolite
ebselen	[no description available]	low	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
idebenone	[no description available]	low	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
edaravone	[no description available]	low	0	pyrazolone	antioxidant; radical scavenger
molsidomine	[no description available]	low	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
probucol	[no description available]	low	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
resveratrol	[no description available]	low	0	polyphenol; resorcinols; stilbenol	antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin
sulforaphane	[no description available]	low	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
troglitazone	[no description available]	low	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
zonisamide	[no description available]	low	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
medroxyprogesterone acetate	[no description available]	low	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
n,n'-diphenyl-4-phenylenediamine	[no description available]	low	0	N-substituted diamine; secondary amino compound	antioxidant
2,4-di-tert-butylphenol	[no description available]	low	0	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite
lactobionic acid	[no description available]	low	0	disaccharide	antioxidant
methyl gallate	[no description available]	low	0	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite
gamma-terpinene	[no description available]	low	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component
n-isopropyl-n-phenyl-4-phenylenediamine	[no description available]	low	0	N-substituted diamine	allergen; antioxidant
ethyl vanillin	[no description available]	low	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
triethylenediamine	[no description available]	low	0	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent
thiazolidine-4-carboxylic acid	[no description available]	low	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
4-methylcatechol	[no description available]	low	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
4-hydroxyphenylethanol	[no description available]	low	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	low	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
diphenylamine	[no description available]	low	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
acetylcysteine	[no description available]	low	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
dihydroferulic acid	[no description available]	low	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
d-alpha tocopherol	[no description available]	low	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
diallyl trisulfide	[no description available]	low	0	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent
methyl vanillate	[no description available]	low	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
butylated hydroxytoluene	[no description available]	low	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
2,6-di-tert-butylphenol	[no description available]	low	0	alkylbenzene; phenols	antioxidant
silybin	[no description available]	low	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
oltipraz	[no description available]	low	0	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug
baicalin	[no description available]	low	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
n-acetylaspartic acid	[no description available]	low	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
salvin	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
7-hydroxydehydroepiandrosterone	[no description available]	low	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; androstanoid	anti-inflammatory agent; antioxidant; estrogen; human xenobiotic metabolite; rat metabolite
gallocatechol	[no description available]	low	0	catechin; flavan-3,3',4',5,5',7-hexol	antioxidant; food component; plant metabolite
vexibinol	[no description available]	medium	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite
brazilin	[no description available]	low	0	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite
fangchinoline	[no description available]	low	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
corilagin	[no description available]	low	0	ellagitannin; gallate ester	antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug
maslinic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
ethyl protocatechuate	[no description available]	low	0	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite
decane-1,2-diol	[no description available]	low	0	glycol; volatile organic compound	anti-inflammatory agent; antioxidant; human metabolite
3,4-dihydroxymandelic acid	[no description available]	low	0	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite
sugiol	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
sesaminol	[no description available]	low	0	benzodioxoles; furofuran; organic hydroxy compound	antioxidant; plant metabolite
wr 1065	[no description available]	low	0	alkanethiol; diamine	antioxidant; drug metabolite; radiation protective agent
kahweol	[no description available]	low	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
swertisin	[no description available]	low	0	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol	adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
rubiadin	[no description available]	low	0	dihydroxyanthraquinone	antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite
ovothiol c	[no description available]	low	0	aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative	antioxidant; marine metabolite; radical scavenger
ovothiol a	[no description available]	low	0	aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid	antioxidant; marine metabolite; radical scavenger
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman	[no description available]	low	0	benzopyran	antioxidant
acrovestone	[no description available]	low	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
secoxyloganin	[no description available]	low	0	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite
pectolinarin	[no description available]	low	0	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite
2,5-dihydroxybenzyl alcohol	[no description available]	low	0	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite
erythritol	[no description available]	low	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
methyl 3,4-dihydroxybenzoate	[no description available]	low	0	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite
sorbinil	[no description available]	low	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
3,4-dihydroxyphenylpropionic acid	[no description available]	low	0	(dihydroxyphenyl)propanoic acid	antioxidant; human xenobiotic metabolite
n-acetylneuraminic acid	[no description available]	low	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
carnosine	[no description available]	low	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
allose	[no description available]	low	0	allopyranose; D-allose	antioxidant
ginsenoside re	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite
notoginsenoside r1	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite
stevioside	[no description available]	low	0	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent
genipin	[no description available]	low	0	iridoid monoterpenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor
solasodine	[no description available]	low	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
equilenin	[no description available]	low	0	17-oxo steroid; 3-hydroxy steroid	antioxidant; mammalian metabolite
lycopene	[no description available]	low	0	acyclic carotene	antioxidant; plant metabolite
pallidol	[no description available]	low	0	carbopolycyclic compound; polyphenol; stilbenoid	antifungal agent; antioxidant; plant metabolite
riboflavin	[no description available]	low	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
piperlactam s	[no description available]	low	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
beta-ionone	[no description available]	low	0	ionone	antioxidant; fragrance
propylthiouracil	[no description available]	low	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
thiourea	[no description available]	low	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
u 0126	[no description available]	low	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
ferrostatin-1	[no description available]	low	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
sb 415286	[no description available]	low	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
fraxetin	[no description available]	low	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
bilirubin	[no description available]	low	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
sinapine	[no description available]	low	0	acylcholine	antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite
ubiquinone 9	[no description available]	low	0	ubiquinones	antioxidant; human metabolite
beta carotene	[no description available]	low	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
retinol palmitate	[no description available]	low	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
luteolin-7-glucoside	[no description available]	low	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
zeaxanthin	[no description available]	low	0	carotenol	antioxidant; bacterial metabolite; cofactor
astaxanthine	[no description available]	low	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
gardenia yellow	[no description available]	low	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
cryptoxanthins	[no description available]	low	0	carotenol	antioxidant; biomarker; plant metabolite; provitamin A
esculetin	[no description available]	low	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
oleuropein	[no description available]	low	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
mangiferin	[no description available]	low	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
1,2,8-trihydroxy-6-methoxyxanthone	[no description available]	low	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
coenzyme q10	[no description available]	low	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
quercetin-3-o-sophoroside	[no description available]	low	0	sophoroside; tetrahydroxyflavone	antioxidant; plant metabolite
gamma-tocotrienol	[no description available]	low	0	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent
menatetrenone	[no description available]	low	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
nk 104	[no description available]	low	0	calcium salt; statin (synthetic)	antioxidant
pitavastatin	[no description available]	low	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
fenretinide	[no description available]	low	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
rosmarinic acid	[no description available]	low	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
cannabigerol	[no description available]	low	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
quadrangularin a	[no description available]	low	0	indanes; polyphenol; stilbenoid	antioxidant; plant metabolite
isosalipurposide	[no description available]	low	0	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite
icariin	[no description available]	low	0	flavonols; glycosyloxyflavone	antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen
4-methylesculetin	[no description available]	low	0	hydroxycoumarin	anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor
spiraeoside	[no description available]	low	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside	[no description available]	low	0	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor
ergothioneine	[no description available]	low	0	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
monomethyl fumarate	[no description available]	low	0	dicarboxylic acid monoester; enoate ester; methyl ester	antioxidant; drug metabolite; immunomodulator
5,4'-dihydroxy-7,3'-dimethoxyflavone	[no description available]	low	0	dihydroxyflavone; dimethoxyflavone	anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite
quercetin 3-sambubioside	[no description available]	low	0	disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; plant metabolite
germacrone	[no description available]	low	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
meso-zeaxanthin	[no description available]	low	0	carotenol	anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite
salvianolic acid B	[no description available]	low	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
trilobatin	[no description available]	low	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent
capsiate	[no description available]	low	0	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite
tln 4601	[no description available]	low	0	dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol	antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor
arachidonoylserotonin	[no description available]	low	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
nigerloxin	[no description available]	low	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
aspalathin	[no description available]	low	0	C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol	antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite
glyceryl ferulate	[no description available]	low	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
(+)-dehydrodiconiferyl alcohol	[no description available]	low	0	dehydrodiconiferyl alcohol	antioxidant; plant metabolite
ginsenoside rb3	[no description available]	low	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite
astragaloside IV	[no description available]	low	0	pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
pyranonigrin a	[no description available]	low	0	cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol	antioxidant; Aspergillus metabolite; marine metabolite
madecassoside	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary
bacillithiol	[no description available]	low	0	glycoside; monosaccharide derivative; thiol	antioxidant; bacterial metabolite; cofactor
kurarinol	[no description available]	low	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	anti-inflammatory agent; antioxidant; plant metabolite
(20R)-ginsenoside Rg3	[no description available]	low	0	ginsenoside; glycoside; tetracyclic triterpenoid	antioxidant; plant metabolite
hispidin	[no description available]	low	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
oleuropein aglycone	[no description available]	low	0	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist
6-hydroxy-2,4,5-triaminopyrimidine	[no description available]	low	0	aminopyrimidine; hydroxypyrimidine	antioxidant; chromophore
liproxstatin-1	[no description available]	low	0	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger
aminolevulinic acid	[no description available]	low	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
perillic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
pk 11195	[no description available]	low	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
pd 173074	[no description available]	low	0	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
aminopropionitrile	[no description available]	low	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
5-(n,n-hexamethylene)amiloride	[no description available]	low	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ro 48-8071	[no description available]	low	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd	[no description available]	low	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
alfuzosin	[no description available]	low	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
am 251	[no description available]	low	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
am 580	[no description available]	low	0	amidobenzoic acid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
aminoglutethimide	[no description available]	low	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
amsacrine	[no description available]	low	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	low	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
azathioprine	[no description available]	low	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
buformin	[no description available]	low	0	biguanides	antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent
busulfan	[no description available]	low	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
camostat	[no description available]	low	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
carmustine	[no description available]	low	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 15943	[no description available]	low	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chelerythrine	[no description available]	low	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
chlorambucil	[no description available]	low	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
ci 994	[no description available]	low	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
ciglitazone	[no description available]	low	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cl 387785	[no description available]	low	0	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
clioquinol	[no description available]	low	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clofibric acid	[no description available]	low	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
dacarbazine	[no description available]	low	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
dequalinium	[no description available]	low	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
disulfiram	[no description available]	low	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
doxazosin	[no description available]	low	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
etanidazole	[no description available]	low	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
etidronate	[no description available]	low	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
flutamide	[no description available]	low	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
miltefosine	[no description available]	low	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
beta-thujaplicin	[no description available]	low	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
hydroxyurea	[no description available]	low	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ifosfamide	[no description available]	low	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
leflunomide	[no description available]	low	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
letrozole	[no description available]	low	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
lomustine	[no description available]	low	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
6-anilino-5,8-quinolinedione	[no description available]	low	0	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	[no description available]	low	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
meclofenamic acid	[no description available]	low	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
nocodazole	[no description available]	low	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
midazolam	[no description available]	low	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mitoxantrone	[no description available]	low	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
entinostat	[no description available]	low	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
n(1), n(12)-diethylspermine	[no description available]	low	0	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent
nilutamide	[no description available]	low	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nortriptyline	[no description available]	low	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	low	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
oxyphenbutazone	[no description available]	low	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
pd 158780	[no description available]	low	0	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-phenylbutyric acid	[no description available]	low	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
oxophenylarsine	[no description available]	low	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
pipobroman	[no description available]	low	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
pj-34	[no description available]	low	0	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent
procarbazine	[no description available]	low	0	benzamides; hydrazines	antineoplastic agent
salicylsalicylic acid	[no description available]	low	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
semustine	[no description available]	low	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
imatinib	[no description available]	low	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
SU6656	[no description available]	low	0	oxindoles; sulfonamide	antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vorinostat	[no description available]	low	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
suramin	[no description available]	low	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
temozolomide	[no description available]	low	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terazosin	[no description available]	low	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
tilorone	[no description available]	low	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	low	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
floxuridine	[no description available]	low	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
prednisone	[no description available]	low	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone	[no description available]	low	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
azauridine	[no description available]	low	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
mechlorethamine hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent
vincristine	[no description available]	low	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
methyltestosterone	[no description available]	low	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
dromostanolone	[no description available]	low	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
bromodeoxyuridine	[no description available]	low	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
tributyrin	[no description available]	low	0	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent
ethyl methanesulfonate	[no description available]	low	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
triaziquone	[no description available]	low	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
cytarabine	[no description available]	low	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	low	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
fluoxymesterone	[no description available]	low	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
acetopyrrothine	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
phenformin	[no description available]	low	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
suramin sodium	[no description available]	low	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	low	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
diazooxonorleucine	[no description available]	low	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
azacitidine	[no description available]	low	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
diazomethane	[no description available]	low	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
procarbazine hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent
naphthazarin	[no description available]	low	0	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite
lucanthone	[no description available]	low	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
dequalinium chloride	[no description available]	low	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
formestane	[no description available]	low	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene	[no description available]	low	0	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen
megestrol acetate	[no description available]	low	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
toyocamycin	[no description available]	low	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
2-hydroxyacetanilide	[no description available]	low	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
methoxyacetic acid	[no description available]	low	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
hadacidin	[no description available]	low	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
2-fluoroadenine	[no description available]	low	0	organofluorine compound; purines	antineoplastic agent
tetramethylpyrazine	[no description available]	low	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
guanazole	[no description available]	low	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
diallyl disulfide	[no description available]	low	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
glaucine	[no description available]	low	0	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite
acadesine	[no description available]	low	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
doxifluridine	[no description available]	low	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
megestrol	[no description available]	low	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
mitomycin a	[no description available]	low	0	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin
cladribine	[no description available]	low	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
vidarabine	[no description available]	low	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
cyclophosphamide	[no description available]	low	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
etidronate disodium	[no description available]	low	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
isopentenyladenosine	[no description available]	low	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
nsc-145,668	[no description available]	low	0	hydrochloride	antimetabolite; antineoplastic agent
ancitabine	[no description available]	low	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
clodronic acid	[no description available]	low	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
daunorubicin	[no description available]	low	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
fludarabine phosphate	[no description available]	low	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
2,6-diaminopurine	[no description available]	low	0	2,6-diaminopurines; primary amino compound	antineoplastic agent
glucaric acid	[no description available]	low	0	glucaric acid	antineoplastic agent
promegestone	[no description available]	low	0	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin
nimustine	[no description available]	low	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
lonidamine	[no description available]	low	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
vindesine	[no description available]	low	0	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent
epirubicin	[no description available]	low	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
diaziquone	[no description available]	low	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
midazolam hydrochloride	[no description available]	low	0	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
fazarabine	[no description available]	low	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
mitoxantrone hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent
bisantrene	[no description available]	low	0	anthracenes; hydrazone; imidazolidines	antineoplastic agent
lovastatin	[no description available]	low	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
cabergoline	[no description available]	low	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
nitrogenase stabilizing-protective protein, bacteria	[no description available]	low	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide	androgen antagonist; antineoplastic agent
bmy 25067	[no description available]	low	0	C-nitro compound; organic disulfide	antineoplastic agent
brequinar	[no description available]	low	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
imiquimod	[no description available]	low	0	imidazoquinoline	antineoplastic agent; interferon inducer
aromasil	[no description available]	low	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
cidofovir anhydrous	[no description available]	low	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
topotecan	[no description available]	low	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine hydrochloride	[no description available]	low	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
gemcitabine	[no description available]	low	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
irinotecan	[no description available]	low	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
capecitabine	[no description available]	low	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
nelfinavir mesylate	[no description available]	low	0	methanesulfonate salt	antineoplastic agent; HIV protease inhibitor
nelfinavir	[no description available]	low	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
ro 5-3335	[no description available]	low	0	1,4-benzodiazepinone; organochlorine compound; pyrroles	anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor
plerixafor	[no description available]	low	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	[no description available]	low	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
pyrrolidine dithiocarbamate	[no description available]	low	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
triptonide	[no description available]	low	0	butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound	anti-inflammatory agent; antineoplastic agent; immunosuppressive agent
3'-deoxyadenosine 5'-triphosphate	[no description available]	low	0	purine ribonucleoside 5'-triphosphate	antifungal agent; antimetabolite; antineoplastic agent; antiviral agent
toxoflavin	[no description available]	low	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
lupulon	[no description available]	low	0	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer
ethinylestradiol-3-sulfate	[no description available]	low	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
lonazolac	[no description available]	low	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
bromopyruvate	[no description available]	low	0	2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid	alkylating agent; antineoplastic agent
enrofloxacin	[no description available]	low	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
dexrazoxane	[no description available]	low	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
dw a 2114r	[no description available]	low	0	platinum coordination entity; pyrrolidines	antineoplastic agent
prednisolone phosphate	[no description available]	low	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
sesamin	[no description available]	low	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
alantolactone	[no description available]	low	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
kaurenoic acid	[no description available]	low	0	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite
xanthomicrol	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
voacamine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite
uvaretin	[no description available]	low	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
tetrazolium violet	[no description available]	low	0	organic chloride salt	antineoplastic agent; apoptosis inducer; dye
irinotecan hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	[no description available]	low	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent
hydroxyguanidine	[no description available]	low	0	guanidines; one-carbon compound	antineoplastic agent; antiviral agent
cryptolepine	[no description available]	low	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
bexarotene	[no description available]	low	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
terreic acid	[no description available]	low	0	arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin
4-methylumbelliferyl glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; coumarins; monosaccharide derivative	antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor
9-hydroxyellipticine	[no description available]	low	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound	antineoplastic agent
nimustine	[no description available]	low	0	hydrochloride	antineoplastic agent
beta-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
cryptopleurine	[no description available]	low	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
eupatorin	[no description available]	low	0	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent
1-methyltryptophan	[no description available]	low	0	non-proteinogenic alpha-amino acid; tryptophan derivative	antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
atromentin	[no description available]	low	0	dihydroxy-1,4-benzoquinones; polyphenol	antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite
fulvestrant	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
ici 164384	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
sn 38	[no description available]	low	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
fingolimod	[no description available]	low	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tamibarotene	[no description available]	low	0	dicarboxylic acid monoamide; retinoid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
ecteinascidin 743	[no description available]	low	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
selenomethylselenocysteine	[no description available]	low	0	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
5-(tetradecyloxy)-2-furancarboxylic acid	[no description available]	low	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist
sc 58125	[no description available]	low	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
marimastat	[no description available]	low	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
1'-acetoxychavicol acetate	[no description available]	low	0	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite
clofarabine	[no description available]	low	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
ginsenoside rh2	[no description available]	low	0	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite
trapoxin a	[no description available]	low	0	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite
imatinib mesylate	[no description available]	low	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
aminolevulinic acid hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
gefitinib	[no description available]	low	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
cgp 42112a	[no description available]	low	0	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent
vadimezan	[no description available]	low	0	monocarboxylic acid; xanthones	antineoplastic agent
rubimaillin	[no description available]	low	0	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
4-carbamoylimidazolium 5-olate	[no description available]	low	0	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent
nsc 224070	[no description available]	low	0	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent
psorospermin	[no description available]	low	0	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite
ay 25545	[no description available]	low	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
3,7-dihydroxytropolone	[no description available]	low	0	alpha-hydroxy ketone; cyclic ketone; enol; triol	antineoplastic agent; bacterial metabolite
delphinidin	[no description available]	low	0	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite
tamsulosin	[no description available]	low	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
saintopin	[no description available]	low	0	tetracenequinones	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene	[no description available]	low	0	monoterpenoid; organobromine compound; organochlorine compound	algal metabolite; antineoplastic agent; marine metabolite
ilomastat	[no description available]	low	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
abiraterone	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
pomalidomide	[no description available]	low	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
tempol	[no description available]	low	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
selenomethylselenocysteine	[no description available]	low	0	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent
10-propargyl-10-deazaaminopterin	[no description available]	low	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous	[no description available]	low	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
lonafarnib	[no description available]	low	0	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
6-azauridine-5'-monophosphate	[no description available]	low	0	N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue	antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
ptk 787	[no description available]	low	0	succinate salt	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
vatalanib	[no description available]	low	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
cyc 682	[no description available]	low	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
canertinib	[no description available]	low	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
methyl 5-aminolevulinate hydrochloride	[no description available]	low	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
methyl 5-aminolevulinate	[no description available]	low	0	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
tipifarnib	[no description available]	low	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
aklavinone	[no description available]	low	0	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent
actinodaphine	[no description available]	low	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
anonaine	[no description available]	low	0	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug
salvigenin	[no description available]	low	0	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite
deferrioxamine e	[no description available]	low	0	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore
methylselenic acid	[no description available]	low	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
acetyl aleuritolic acid	[no description available]	low	0	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite
withanolide d	[no description available]	low	0	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent
myricanone	[no description available]	low	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
cirsilineol	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
6-methylthiohexyl isothiocyanate	[no description available]	low	0	isothiocyanate; methyl sulfide	antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent
albicanol	[no description available]	low	0	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite
asperphenamate	[no description available]	low	0	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent
erlotinib	[no description available]	low	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
erlotinib hydrochloride	[no description available]	low	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
helioxanthin	[no description available]	low	0	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite
top 53	[no description available]	low	0	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
5-heptadecylresorcinol	[no description available]	low	0	5-alkylresorcinol	antineoplastic agent; plant metabolite
minquartynoic acid	[no description available]	low	0	acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne	antimalarial; antineoplastic agent; antiviral agent
scutellarin	[no description available]	low	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
chrysosplenol c	[no description available]	low	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite
lanperisone	[no description available]	low	0	2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one	antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker
orantinib	[no description available]	low	0	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
lapatinib	[no description available]	low	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
firocoxib	[no description available]	low	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	[no description available]	low	0	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent
lenalidomide	[no description available]	low	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lasofoxifene	[no description available]	low	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
l 778,123	[no description available]	low	0	hydrochloride	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent
l 778,123	[no description available]	low	0	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide	[no description available]	low	0	chloroindole; organochlorine compound; sulfonamide	antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
diflomotecan	[no description available]	low	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
demecolcine	[no description available]	low	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
dromostanolone propionate	[no description available]	low	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
vincaleukoblastine	[no description available]	low	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
estramustine	[no description available]	low	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
withaferin a	[no description available]	low	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
noscapine	[no description available]	low	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	low	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
elesclomol	[no description available]	low	0	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer
anthricin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite
taiwanin c	[no description available]	low	0	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	low	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
gant 61	[no description available]	low	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
pentostatin	[no description available]	low	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
canaline	[no description available]	low	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
glaucarubinone	[no description available]	low	0	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite
helveticoside	[no description available]	low	0	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside rf	[no description available]	low	0	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ferruginol	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
syringaresinol	[no description available]	low	0	syringaresinol	antineoplastic agent
enkephalin, methionine	[no description available]	low	0	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist
devazepide	[no description available]	low	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
sodium arsenite	[no description available]	low	0	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide
kerriamycin b	[no description available]	low	0	angucycline antibiotic	antineoplastic agent
carubicin	[no description available]	low	0	aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones	antineoplastic agent; apoptosis inducer
docosahexaenoate	[no description available]	low	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
eicosapentaenoic acid	[no description available]	low	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
formycin	[no description available]	low	0	formycin	antineoplastic agent
neocarzinostatin chromophore	[no description available]	low	0	cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester	antineoplastic agent
epothilone b	[no description available]	low	0	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent
adenosine-5'-(n-ethylcarboxamide)	[no description available]	low	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
n(1)-guanyl-1,7-diaminoheptane	[no description available]	low	0	guanidines; primary amino compound	antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor
diethylstilbestrol	[no description available]	low	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
bms 214662	[no description available]	low	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
aclarubicin	[no description available]	low	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
teniposide	[no description available]	low	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
steviol	[no description available]	low	0	bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid	antineoplastic agent
tiazofurin	[no description available]	low	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	low	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
prinomastat	[no description available]	low	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
rubitecan	[no description available]	low	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
arsenic trioxide	[no description available]	low	0	arsenic oxide	antineoplastic agent; insecticide
antofine	[no description available]	low	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
vedelianin	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
s 1033	[no description available]	low	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
trilostane	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	low	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
leuprolide	[no description available]	low	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
mercaptopurine	[no description available]	low	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
iFSP1	[no description available]	low	0	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor
4-iodo-6-phenylpyrimidine	[no description available]	low	0	biaryl; organoiodine compound; pyrimidines	antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor
oncrasin-1	[no description available]	low	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
cct018159	[no description available]	low	0	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
sulindac	[no description available]	low	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
xl147	[no description available]	low	0	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mcb-613	[no description available]	low	0	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator
thioguanine anhydrous	[no description available]	low	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tamoxifen	[no description available]	low	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
stattic	[no description available]	low	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
krn 7000	[no description available]	low	0	glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine	allergen; antigen; antineoplastic agent; epitope; immunological adjuvant
10058-F4	[no description available]	low	0	olefinic compound; thiazolidinone	antineoplastic agent; apoptosis inducer
monastrol	[no description available]	low	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
toremifene	[no description available]	low	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
nelarabine	[no description available]	low	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
bms 387032	[no description available]	low	0	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
manool	[no description available]	low	0	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite
amrubicin	[no description available]	low	0	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor
ospemifene	[no description available]	low	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator
tandutinib	[no description available]	low	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
dasatinib	[no description available]	low	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
bigelovin	[no description available]	low	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite
zd 6474	[no description available]	low	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
l 663536	[no description available]	low	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione	[no description available]	low	0	benzenes; thiadiazolidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
sc 560	[no description available]	low	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
alsterpaullone	[no description available]	low	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
herbacetin	[no description available]	low	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite
bryostatin 1	[no description available]	low	0	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2	[no description available]	low	0	prostaglandins J; secondary alcohol	antineoplastic agent; antiviral agent
pyrvinium	[no description available]	low	0	quinolinium ion	anthelminthic drug; antineoplastic agent
cyclobenzaprine	[no description available]	low	0	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite
cucurbitacin i	[no description available]	low	0	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite
eupatolide	[no description available]	low	0	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite
gartanin	[no description available]	low	0	polyphenol; xanthones	antineoplastic agent; plant metabolite
norathyriol	[no description available]	low	0	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
morusin	[no description available]	low	0	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite
maytansine	[no description available]	low	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
plaunotol	[no description available]	low	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
tranilast	[no description available]	low	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
tocotrienol, beta	[no description available]	low	0	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite
tocotrienol, delta	[no description available]	low	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
4'-hydroxychalcone	[no description available]	low	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
9,11-linoleic acid	[no description available]	low	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
camostat mesylate	[no description available]	low	0	methanesulfonate salt	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
alvocidib	[no description available]	low	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
geldanamycin	[no description available]	low	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
4-oxoretinol	[no description available]	low	0	cyclic ketone; enone; primary allylic alcohol; retinoid	antineoplastic agent
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	low	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
isoginkgetin	[no description available]	low	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
cudraflavone c	[no description available]	low	0	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite
neoglycyrol	[no description available]	low	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
rhamnazin	[no description available]	low	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
oridonin	[no description available]	low	0	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
pd 166866	[no description available]	low	0	biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bosutinib	[no description available]	low	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
semaxinib	[no description available]	low	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
su 11248	[no description available]	low	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib	[no description available]	low	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
mitoguazone	[no description available]	low	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
reumycin	[no description available]	low	0	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite
romidepsin	[no description available]	low	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
sulindac sulfide	[no description available]	low	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
bay 11-7085	[no description available]	low	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
tamsulosin hydrochloride	[no description available]	low	0	hydrochloride	alpha-adrenergic antagonist; antineoplastic agent
batimastat	[no description available]	low	0	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
glyceryl behenate	[no description available]	low	0	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite
pederin	[no description available]	low	0	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant
cisplatin	[no description available]	low	0	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent
beta-aminopropionitrile fumarate (2:1)	[no description available]	low	0	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
gamma-mangostin	[no description available]	low	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
cystothiazole a	[no description available]	low	0	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite
lespenefril	[no description available]	low	0	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite
baohuoside i	[no description available]	low	0	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	[no description available]	low	0	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor
ma-1	[no description available]	low	0	carboxamidine; organochlorine compound; pyrimidone; pyrrolidines	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor
coronardine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite
ascofuranone	[no description available]	low	0	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite
columbianadin	[no description available]	low	0	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite
sibiromycin	[no description available]	low	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
bryostatin 2	[no description available]	low	0	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist
manumycin	[no description available]	low	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
asukamycin	[no description available]	low	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
everolimus	[no description available]	low	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
13(S)-HODE	[no description available]	low	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
ixabepilone	[no description available]	low	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
axitinib	[no description available]	low	0	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
l 744832	[no description available]	low	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
tanespimycin	[no description available]	low	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
manzamine a	[no description available]	low	0	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite
aureothin	[no description available]	low	0	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
fostriecin	[no description available]	low	0	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor
ru 58668	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
soblidotin	[no description available]	low	0	tetrapeptide	antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
beta-elemene	[no description available]	low	0	beta-elemene	antineoplastic agent
laulimalide	[no description available]	low	0	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent
jwh-133	[no description available]	low	0	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
belinostat	[no description available]	low	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
on 01910	[no description available]	low	0	N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine	antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent
panobinostat	[no description available]	low	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
bml 210	[no description available]	low	0	dicarboxylic acid diamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
rhosin	[no description available]	low	0	D-tryptophan derivative; hydrazone; quinoxaline derivative	antineoplastic agent; RhoA inhibitor; RhoC inhibitor
2-hydroxy-9-cis-octadecenoic acid	[no description available]	low	0	2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid	antihypertensive agent; antineoplastic agent; apoptosis inducer
dolastatin 10	[no description available]	low	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
plitidepsin	[no description available]	low	0	didemnin	anticoronaviral agent; antineoplastic agent; marine metabolite
abiraterone acetate	[no description available]	low	0	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug
lenvatinib	[no description available]	low	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
nsc 716970	[no description available]	low	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent
pd 0325901	[no description available]	low	0	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
midostaurin	[no description available]	low	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
jasplakinolide	[no description available]	low	0	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent
muromonab-cd3	[no description available]	low	0	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite
ginsenoside m1	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite
cabazitaxel	[no description available]	low	0	tetracyclic diterpenoid	antineoplastic agent; microtubule-stabilising agent
elisidepsin	[no description available]	low	0	cyclodepsipeptide	antineoplastic agent
scio-469	[no description available]	low	0	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
tmc-95a	[no description available]	low	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
cp 724714	[no description available]	low	0	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent
topopyrone c	[no description available]	low	0	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite
pi103	[no description available]	low	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride	[no description available]	low	0	hydrochloride; iminium salt	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor
fty 720p	[no description available]	low	0	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist
hmr 1275	[no description available]	low	0	hydrochloride	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
zm 447439	[no description available]	low	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
hki 272	[no description available]	low	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
ginsenoside f2	[no description available]	low	0	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside rg3	[no description available]	low	0	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite
es-285	[no description available]	low	0	amino alcohol; sphingoid	antineoplastic agent
nidulalin a	[no description available]	low	0	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite
hypothemycin	[no description available]	low	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
rucaparib	[no description available]	low	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
jte 607	[no description available]	low	0	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug
pasireotide	[no description available]	low	0	homodetic cyclic peptide; peptide hormone	antineoplastic agent
npi 2358	[no description available]	low	0	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
NNC 55-0396 (free base)	[no description available]	low	0	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
sr 11302	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes	antineoplastic agent; AP-1 antagonist
sch 51344	[no description available]	low	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	[no description available]	low	0	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite
osu 03012	[no description available]	low	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ly2090314	[no description available]	low	0	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator
pateamine a	[no description available]	low	0	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite
6-hydroxytaxol	[no description available]	low	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent
masitinib	[no description available]	low	0	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor
avenanthramide b	[no description available]	low	0	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin
ly-2157299	[no description available]	low	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
pazopanib	[no description available]	low	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
azd 6244	[no description available]	low	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
azd2858	[no description available]	low	0	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator
bibw 2992	[no description available]	low	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
bl1521	[no description available]	low	0	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
jte 013	[no description available]	low	0	chloropyridine; pyrazolopyridine	anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist
holomycin	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite
binimetinib	[no description available]	low	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
aee 788	[no description available]	low	0	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug
saracatinib	[no description available]	low	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
crenolanib	[no description available]	low	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
trilobacin	[no description available]	low	0	butenolide; polyketide; triol	antineoplastic agent; plant metabolite
pha 665752	[no description available]	low	0	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor
PB28	[no description available]	low	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
tmc-95b	[no description available]	low	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
fr 901464	[no description available]	low	0	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite
vinflunine	[no description available]	low	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
homocamptothecin	[no description available]	low	0	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
jaspamide b	[no description available]	low	0	cyclodepsipeptide; organobromine compound	animal metabolite; antineoplastic agent; marine metabolite
ossamycin	[no description available]	low	0	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite
azadirone	[no description available]	low	0	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite
iejimalide b	[no description available]	low	0	ether; formamides; macrolide	antineoplastic agent; marine metabolite
cembra-2,7,11-triene-4,6-diol	[no description available]	low	0	cembrane diterpenoid	antineoplastic agent
regorafenib	[no description available]	low	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867	[no description available]	low	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ym 155	[no description available]	low	0	organic bromide salt	antineoplastic agent; apoptosis inducer; survivin suppressant
erastin	[no description available]	low	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor
abt-737	[no description available]	low	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
brivanib	[no description available]	low	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
rx-3117	[no description available]	low	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
ascochlorin	[no description available]	low	0	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide	[no description available]	low	0	D-valine derivative; hydroxamic acid	antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor
at 7519	[no description available]	low	0	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ym 216391	[no description available]	low	0	1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide	antineoplastic agent; bacterial metabolite
marizomib	[no description available]	low	0	beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide	antineoplastic agent; proteasome inhibitor
er-086526	[no description available]	low	0	cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound	antineoplastic agent; microtubule-destabilising agent
obolactone	[no description available]	low	0	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite
abt 869	[no description available]	low	0	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 1152	[no description available]	low	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
pf 00299804	[no description available]	low	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
ki11502	[no description available]	low	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
carfilzomib	[no description available]	low	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib	[no description available]	low	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib	[no description available]	low	0	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zstk474	[no description available]	low	0	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trametinib	[no description available]	low	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
GDC-0879	[no description available]	low	0	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor
physalin b	[no description available]	low	0	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent
amrubicinol	[no description available]	low	0	diastereoisomeric mixture; quinone; secondary alcohol; tetracenes	antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor
at 13387	[no description available]	low	0	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor
dactolisib	[no description available]	low	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
bgt226	[no description available]	low	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
gedunin	[no description available]	low	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
monascin	[no description available]	low	0	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist
monascorubrin	[no description available]	low	0	azaphilone; enone; gamma-lactone; polyketide; triketone	anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	0	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite
SYC-435	[no description available]	low	0	benzenes; cyclic hydroxamic acid; pyridone	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ligstroside	[no description available]	low	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
mogrol	[no description available]	low	0	hydroxy seco-steroid; tetracyclic triterpenoid	antineoplastic agent
4-methyl-5-pentylbenzene-1,3-diol	[no description available]	low	0	resorcinols	antineoplastic agent
mdv 3100	[no description available]	low	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
azd 1152-hqpa	[no description available]	low	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
adonixanthin	[no description available]	low	0	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite
abarelix	[no description available]	low	0	polypeptide	antineoplastic agent; hormone antagonist
forapin	[no description available]	low	0	peptidyl amide; polypeptide	animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom
gastrin 17	[no description available]	low	0	gastrin	antineoplastic agent
gdc-0973	[no description available]	low	0	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
buparlisib	[no description available]	low	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tubocapsanolide a	[no description available]	low	0	4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide	antineoplastic agent; NF-kappaB inhibitor
ro5126766	[no description available]	low	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat	[no description available]	low	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
tg101209	[no description available]	low	0	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk690693	[no description available]	low	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024	[no description available]	low	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
ku 0063794	[no description available]	low	0	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor
sm 164	[no description available]	low	0	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent
berkeleydione	[no description available]	low	0	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite
nnc 55-0396	[no description available]	low	0	hydrochloride	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
meclofenamate sodium anhydrous	[no description available]	low	0	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
brequinar sodium	[no description available]	low	0	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
borrelidin	[no description available]	low	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
olaparib	[no description available]	low	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
plx 4720	[no description available]	low	0	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
lcl161	[no description available]	low	0	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer
aspergillide b	[no description available]	low	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
tenovin-6	[no description available]	low	0	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
lde225	[no description available]	low	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gdc 0449	[no description available]	low	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
bms 754807	[no description available]	low	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
marinopyrrole a	[no description available]	low	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
delanzomib	[no description available]	low	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
pci 32765	[no description available]	low	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib	[no description available]	low	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
spiruchostatin b	[no description available]	low	0	macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin	antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor
AMG-208	[no description available]	low	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor
sch772984	[no description available]	low	0	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
papuamide b	[no description available]	low	0	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite
antroquinonol d	[no description available]	low	0	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite
quizartinib	[no description available]	low	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
6-methoxyspirotryprostatin b	[no description available]	low	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
PP121	[no description available]	low	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
niraparib	[no description available]	low	0	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
niraparib	[no description available]	low	0	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
navitoclax	[no description available]	low	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
lucitanib	[no description available]	low	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist
chondramide c	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	[no description available]	low	0	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cetrorelix	[no description available]	low	0	oligopeptide	antineoplastic agent; GnRH antagonist
histrelin	[no description available]	low	0	oligopeptide	antineoplastic agent; gonadotropin releasing hormone agonist
cabozantinib	[no description available]	low	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
incb-018424	[no description available]	low	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinib	[no description available]	low	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
asp3026	[no description available]	low	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib	[no description available]	low	0	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinib	[no description available]	low	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580	[no description available]	low	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
glasdegib	[no description available]	low	0	benzimidazoles; nitrile; phenylureas; piperidines	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gsk 2126458	[no description available]	low	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
ixazomib	[no description available]	low	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
cx 5461	[no description available]	low	0	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	[no description available]	low	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
plx4032	[no description available]	low	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
GDC-0623	[no description available]	low	0	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
INDY	[no description available]	low	0	benzothiazoles; enone; organic hydroxy compound	antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor
dabrafenib	[no description available]	low	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
cblc137	[no description available]	low	0	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator
thiopental sodium	[no description available]	low	0	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor
EG00229	[no description available]	low	0	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist
jadomycin b	[no description available]	low	0	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite
tak-632	[no description available]	low	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor
chondramide a	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
lrrk2-in1	[no description available]	low	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
jq1 compound	[no description available]	low	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
ML-210	[no description available]	low	0	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug
gilteritinib	[no description available]	low	0	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinib	[no description available]	low	0	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240	[no description available]	low	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
torin 1	[no description available]	low	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199	[no description available]	low	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
pracinostat	[no description available]	low	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
physalin f	[no description available]	low	0	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent
xl765	[no description available]	low	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
DMH1	[no description available]	low	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor
torin 2	[no description available]	low	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
oligomycin a	[no description available]	low	0	antibiotic antifungal agent; diketone; oligomycin; pentol	antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea	[no description available]	low	0	aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas	antineoplastic agent; fibroblast growth factor receptor antagonist
chir 98014	[no description available]	low	0	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator
gsk2656157	[no description available]	low	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	[no description available]	low	0	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
coumermycin	[no description available]	low	0	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor
lfm a13	[no description available]	low	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
AZD3463	[no description available]	low	0	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
asperfuranone	[no description available]	low	0	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite
ceritinib	[no description available]	low	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pelabresib	[no description available]	low	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
MK-8353	[no description available]	low	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk2879552	[no description available]	low	0	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ssr128129e	[no description available]	low	0	organic sodium salt	antineoplastic agent; fibroblast growth factor receptor antagonist
aspergillide a	[no description available]	low	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
capilliposide b	[no description available]	low	0	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite
brasilicardin a	[no description available]	low	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
acp-196	[no description available]	low	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343	[no description available]	low	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
GSK1059615	[no description available]	low	0	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
osimertinib	[no description available]	low	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
ivosidenib	[no description available]	low	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
phleomycin d1	[no description available]	low	0	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
ly3009120	[no description available]	low	0	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor
pf-06463922	[no description available]	low	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
as 1842856	[no description available]	low	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
physalin d	[no description available]	low	0	5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimycobacterial drug; antineoplastic agent
acarbose	[no description available]	low	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
sr9243	[no description available]	low	0	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist
CCT251545	[no description available]	low	0	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor
ldc4297	[no description available]	low	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
hg-9-91-01	[no description available]	low	0	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor
cigb-300	[no description available]	low	0	heterodetic cyclic peptide; polypeptide	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
chondramide d	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
bassianolide	[no description available]	low	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
enasidenib	[no description available]	low	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
BDA-366	[no description available]	low	0	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer
ebc-46	[no description available]	low	0	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist
THZ531	[no description available]	low	0	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
can 508	[no description available]	low	0	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
azaguanine	[no description available]	low	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
pemetrexed	[no description available]	low	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
tirapazamine	[no description available]	low	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
pyrazofurin	[no description available]	low	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
MMP-9-IN-1	[no description available]	low	0	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor
hydrazinocurcumin	[no description available]	low	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
9-arabinofuranosylguanine	[no description available]	low	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor
cerulomycin	[no description available]	low	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
ver 52296	[no description available]	low	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	[no description available]	low	0	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor
XL413	[no description available]	low	0	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pp242	[no description available]	low	0	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor
ARS-1620	[no description available]	low	0	quinazolines	antineoplastic agent; antiviral agent; inhibitor
sotorasib	[no description available]	low	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
nitrous oxide	[no description available]	low	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
4-phenyl-3-furoxancarbonitrile	[no description available]	low	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
methacholine	[no description available]	low	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
theophylline	[no description available]	low	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amlodipine	[no description available]	low	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
bepridil	[no description available]	low	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betahistine	[no description available]	low	0	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent
carvedilol	[no description available]	low	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
cilostazol	[no description available]	low	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cyclandelate	[no description available]	low	0	carboxylic ester; secondary alcohol	vasodilator agent
diazoxide	[no description available]	low	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
dilazep	[no description available]	low	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
dipyridamole	[no description available]	low	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dyphylline	[no description available]	low	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
felodipine	[no description available]	low	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenoldopam	[no description available]	low	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
fasudil	[no description available]	low	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
hydralazine	[no description available]	low	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
milrinone	[no description available]	low	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
nifedipine	[no description available]	low	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimodipine	[no description available]	low	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nitrendipine	[no description available]	low	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	low	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
papaverine	[no description available]	low	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pimobendan	[no description available]	low	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pindolol	[no description available]	low	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
propranolol	[no description available]	low	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
tolazoline	[no description available]	low	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
phentolamine	[no description available]	low	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
pentaerythritol tetranitrate	[no description available]	low	0	pentaerythritol nitrate	explosive; vasodilator agent
isosorbide dinitrate	[no description available]	low	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
nicotinic acid benzyl ester	[no description available]	low	0	benzyl ester	vasodilator agent
nicotinyl alcohol	[no description available]	low	0	aromatic primary alcohol; pyridines	antilipemic drug; vasodilator agent
isoamyl nitrite	[no description available]	low	0	nitrite esters	antihypertensive agent; vasodilator agent
hydralazine hydrochloride	[no description available]	low	0	hydrochloride	antihypertensive agent; vasodilator agent
bucladesine	[no description available]	low	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
n-pentyl nitrite	[no description available]	low	0	nitrite esters	vasodilator agent
pentamethonium	[no description available]	low	0	quaternary ammonium ion	antihypertensive agent; vasodilator agent
trimethaphan	[no description available]	low	0	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
isosorbide-5-mononitrate	[no description available]	low	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
clonixin	[no description available]	low	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
diltiazem	[no description available]	low	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
nicorandil	[no description available]	low	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
dotarizine	[no description available]	low	0	cyclic ketal; dioxolane; N-alkylpiperazine	calcium channel blocker; serotonergic antagonist; vasodilator agent
amlodipine besylate	[no description available]	low	0	organosulfonate salt	antihypertensive agent; calcium channel blocker; vasodilator agent
adenosine	[no description available]	low	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
diltiazem hydrochloride	[no description available]	low	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
d 888	[no description available]	low	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
spathulenol	[no description available]	low	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
zofenopril	[no description available]	low	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
dihydroergocristine	[no description available]	low	0	ergot alkaloid	adrenergic antagonist; vasodilator agent
quinaprilat	[no description available]	low	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	low	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
tadalafil	[no description available]	low	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
nitroflurbiprofen	[no description available]	low	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
angiotensin ii, des-phe(8)-	[no description available]	low	0	amino acid zwitterion; angiotensin	vasodilator agent
fasudil hydrochloride	[no description available]	low	0	hydrochloride	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent
bradykinin	[no description available]	low	0	oligopeptide	human blood serum metabolite; vasodilator agent
oxytocin	[no description available]	low	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
raubasine	[no description available]	low	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
colforsin daropate	[no description available]	low	0	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine	[no description available]	low	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
or 1259	[no description available]	low	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
zofenoprilate	[no description available]	low	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
lysine clonixinate	[no description available]	low	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
petasin	[no description available]	low	0	alicyclic ketone; enoate ester; enone; sesquiterpenoid	anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent
anandamide	[no description available]	low	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
sphingosine 1-phosphate	[no description available]	low	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
erythrityl tetranitrate	[no description available]	low	0	nitrate ester	explosive; vasodilator agent
iloprost	[no description available]	low	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
ro 42-5892	[no description available]	low	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
s-nitroso-n-acetylpenicillamine	[no description available]	low	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
beraprost	[no description available]	low	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
u 62840	[no description available]	low	0	carbotricyclic compound; carboxylic acid	antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist
triacsin c	[no description available]	low	0	hydrazone; nitroso compound; olefinic compound	antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent
s-nitrosocysteine	[no description available]	low	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
bay 58-2667	[no description available]	low	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
avanafil	[no description available]	low	0	aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
selexipag	[no description available]	low	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
mre 269	[no description available]	low	0	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent
n-arachidonoyl l-serine	[no description available]	low	0	N-(fatty acyl)-L-alpha-amino acid	cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent
bay 60-4552	[no description available]	low	0	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent
beraprost sodium	[no description available]	low	0	organic sodium salt	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
vericiguat	[no description available]	low	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
praliciguat	[no description available]	low	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
sildenafil	[no description available]	low	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil	[no description available]	low	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
sildenafil citrate	[no description available]	low	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
mirodenafil	[no description available]	low	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
creatine	[no description available]	low	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	low	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
ethylisopropylamiloride	[no description available]	low	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
7-chlorokynurenic acid	[no description available]	low	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
dantrolene	[no description available]	low	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
valproic acid	[no description available]	low	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
etazolate	[no description available]	low	0	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor
ethoxyquin	[no description available]	low	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
felbamate	[no description available]	low	0	carbamate ester	anticonvulsant; neuroprotective agent
kynurenic acid	[no description available]	low	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
memantine	[no description available]	low	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
palmidrol	[no description available]	low	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
4-phenylbutyric acid, sodium salt	[no description available]	low	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
methylprednisolone	[no description available]	low	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
methylparaben	[no description available]	low	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
cytidine diphosphate choline	[no description available]	low	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
pn 401	[no description available]	low	0	acetate ester; uridines	neuroprotective agent; orphan drug; prodrug
argon	[no description available]	low	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
tenocyclidine	[no description available]	low	0	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist
norvaline	[no description available]	low	0	2-aminopentanoic acid; L-alpha-amino acid zwitterion	bacterial metabolite; hypoglycemic agent; neuroprotective agent
rivastigmine	[no description available]	low	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
loganin	[no description available]	low	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
7-ketocholesterol	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid	neuroprotective agent
phenylisopropyladenosine	[no description available]	low	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
galgravin	[no description available]	low	0	aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly	bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor
s-methylthiocitrulline	[no description available]	low	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
ta 0910	[no description available]	low	0	oligopeptide	analgesic; neuroprotective agent; nootropic agent
3-(2,2,2-trimethylhydrazine)propionate	[no description available]	low	0	ammonium betaine	cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent
27-hydroxycholesterol	[no description available]	low	0	26-hydroxycholesterol	apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent
lanthionine ketimine	[no description available]	low	0	1,4-thiazine; dicarboxylic acid; sulfur-containing amino acid	anti-inflammatory agent; human urinary metabolite; neuroprotective agent
anacardic acid	[no description available]	low	0	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
sb 203580	[no description available]	low	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
dizocilpine	[no description available]	low	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
memantine hydrochloride	[no description available]	low	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
theanine	[no description available]	low	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
neriifolin	[no description available]	low	0	cardenolide glycoside	cardiotonic drug; neuroprotective agent; toxin
ginsenoside rg1	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	neuroprotective agent; pro-angiogenic agent
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	low	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
dimethyloxalylglycine	[no description available]	low	0	glycine derivative; methyl ester; secondary carboxamide	EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent
glycerylphosphorylcholine	[no description available]	low	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
huperzine a	[no description available]	low	0	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite
n-(4-(n-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide	[no description available]	low	0	pyrazines; sulfonamide; thiophenes	necroptosis inhibitor; neuroprotective agent
amn082	[no description available]	low	0	benzenes; diamine; diarylmethane; secondary amino compound	metabotropic glutamate receptor agonist; neuroprotective agent
rasagiline	[no description available]	low	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
gossypin	[no description available]	low	0	7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	neuroprotective agent; plant metabolite
acteoside	[no description available]	low	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
tocotrienol, alpha	[no description available]	low	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
arachidonyl-2-chloroethylamide	[no description available]	low	0	fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid	CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone	[no description available]	low	0	morpholines; naphthyl ketone; organic heterotricyclic compound; synthetic cannabinoid	analgesic; apoptosis inhibitor; neuroprotective agent
tetrahydroxycurcumin	[no description available]	low	0	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite
dizocilpine maleate	[no description available]	low	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
sdz eaa 494	[no description available]	low	0	monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound	anticonvulsant; neuroprotective agent; NMDA receptor antagonist
ro 25-6981	[no description available]	low	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
bis(7)-tacrine	[no description available]	low	0	secondary amino compound	apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent
ursodoxicoltaurine	[no description available]	low	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
l 779976	[no description available]	low	0	benzimidazoles; indoles; piperidinecarboxamide; primary amino compound; secondary carboxamide	neuroprotective agent; somatostatin receptor agonist
ginsenoside rb1	[no description available]	low	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
ly 379268	[no description available]	low	0	amino dicarboxylic acid; bridged compound; organic heterobicyclic compound	antipsychotic agent; anxiolytic drug; metabotropic glutamate receptor agonist; neuroprotective agent
glu-asp-arg	[no description available]	low	0	tripeptide	neuroprotective agent
n-benzylhexadecanamide	[no description available]	low	0	macamide; secondary carboxamide	EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite
np 031112	[no description available]	low	0	benzenes; naphthalenes; thiadiazolidine	anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
ginsenoside rd	[no description available]	low	0	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride	[no description available]	low	0	hydrochloride	geroprotector; metabotropic glutamate receptor agonist; neuroprotective agent
glycoursodeoxycholic acid	[no description available]	low	0	bile acid glycine conjugate; N-acylglycine	human blood serum metabolite; neuroprotective agent
protectin d1	[no description available]	low	0	dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol	anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator
astressin	[no description available]	low	0	homodetic cyclic peptide; polypeptide	corticotropin-releasing factor receptor antagonist; neuroprotective agent
liraglutide	[no description available]	low	0	lipopeptide; polypeptide	glucagon-like peptide-1 receptor agonist; neuroprotective agent
albiflorin	[no description available]	low	0	benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol	neuroprotective agent; plant metabolite
SL-327	[no description available]	low	0	(trifluoromethyl)benzenes; enamine; nitrile; organic sulfide; primary amino compound; substituted aniline	EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor; neuroprotective agent
apelin-13 peptide	[no description available]	low	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe	[no description available]	low	0	polypeptide	apoptosis inhibitor; human metabolite; neuroprotective agent
semaglutide	[no description available]	low	0	lipopeptide; polypeptide	anti-obesity agent; appetite depressant; glucagon-like peptide-1 receptor agonist; hypoglycemic agent; neuroprotective agent
maysin	[no description available]	low	0	disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone	insecticide; neuroprotective agent; plant metabolite
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)	[no description available]	low	0	benzodioxoles; imidazolone; substituted aniline	autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent
apelin-12 peptide	[no description available]	low	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
4',7-dihydroxyflavanone	[no description available]	low	0	4'-hydroxyflavanones; dihydroxyflavanone; polyphenol	Brassica napus metabolite; fungal xenobiotic metabolite
matteucinol	[no description available]	low	0	4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite; radical scavenger
sophoranone	[no description available]	low	0	4'-hydroxyflavanones; dihydroxyflavanone	plant metabolite
senegalensin	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; plant metabolite
paclitaxel	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	T-type calcium channel blocker
8-prenylnaringenin	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor
leachianone g	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone
amphotericin b	[no description available]	medium	1	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
naringenin	[no description available]	medium	1	4'-hydroxyflavanones; trihydroxyflavanone
flavone	[no description available]	medium	1	flavones	metabolite; nematicide
eriodictyol	[no description available]	medium	1	flavanones
sakuranetin	[no description available]	medium	1
5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one	[no description available]	medium	1	ether; flavonoids
alpinetin	[no description available]	medium	1	ether; flavonoids
quercetin	[no description available]	medium	1	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
apigenin	[no description available]	medium	1	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
gossypetin	[no description available]	medium	1	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
chrysin	[no description available]	medium	1	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
diosmetin	[no description available]	medium	1	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
fisetin	[no description available]	medium	1	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
morin	[no description available]	medium	1	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
scutellarein	[no description available]	medium	1	tetrahydroxyflavone	metabolite
tricetin	[no description available]	medium	1	pentahydroxyflavone	antineoplastic agent; metabolite

pinocembrin

Description

Cross-References

Synonyms (116)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (4)

Protein Targets (15)

Potency Measurements

Inhibition Measurements

Biological Processes (190)

Molecular Functions (47)

Ceullar Components (21)

Bioassays (176)

Research

Studies (237)

Study Types

Research Highlights

Safety/Toxicity (13)

Long-term Use (1)

Pharmacokinetics (7)

Bioavailability (3)

Dosage (3)

Article	Year
Activation of the Nrf-2 pathway by pinocembrin safeguards vertebral endplate chondrocytes against apoptosis and degeneration caused by oxidative stress. Life sciences, Nov-15, Volume: 333	2023
Pinocembrin-7-Methylether Protects SH-SY5Y Cells Against 6-Hydroxydopamine-Induced Neurotoxicity via Modulating Nrf2 Induction Through AKT and ERK Pathways. Neurotoxicity research, Volume: 39, Issue: 4	2021
Pinocembrin Protects from AGE-Induced Cytotoxicity and Inhibits Non-Enzymatic Glycation in Human Insulin. Cells, 04-26, Volume: 8, Issue: 5	2019
Photoprotective and Antigenotoxic Effects of the Flavonoids Apigenin, Naringenin and Pinocembrin. Photochemistry and photobiology, Volume: 95, Issue: 4	2019
Inhibition of beta-amyloid-induced neurotoxicity by pinocembrin through Nrf2/HO-1 pathway in SH-SY5Y cells. Journal of the neurological sciences, Sep-15, Volume: 368	2016
Pinocembrin attenuates gentamicin-induced nephrotoxicity in rats. Canadian journal of physiology and pharmacology, Volume: 94, Issue: 8	2016
Pinocembrin attenuates MPP(+)-induced neurotoxicity by the induction of heme oxygenase-1 through ERK1/2 pathway. Neuroscience letters, Jan-26, Volume: 612	2016
Pharmacokinetics, safety, and tolerability of single and multiple-doses of pinocembrin injection administered intravenously in healthy subjects. Journal of ethnopharmacology, Jun-20, Volume: 168	2015
Pinocembrin protects SH-SY5Y cells against MPP+-induced neurotoxicity through the mitochondrial apoptotic pathway. Journal of molecular neuroscience : MN, Volume: 53, Issue: 4	2014
Pinocembrin protects against β-amyloid-induced toxicity in neurons through inhibiting receptor for advanced glycation end products (RAGE)-independent signaling pathways and regulating mitochondrion-mediated apoptosis. BMC medicine, Sep-18, Volume: 10	2012
Cytotoxicity against KB and NCI-H187 cell lines of modified flavonoids from Kaempferia parviflora. Bioorganic & medicinal chemistry letters, May-01, Volume: 20, Issue: 9	2010
Bioactive secondary metabolites from Boesenbergia pandurata of Myanmar and their preferential cytotoxicity against human pancreatic cancer PANC-1 cell line in nutrient-deprived medium. Journal of natural products, Volume: 70, Issue: 10	2007
Flavonoids as inhibitors or enhancers of the cytotoxicity of tumor necrosis factor-alpha in L-929 tumor cells. Journal of natural products, Volume: 60, Issue: 8	1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pinocembrin alleviates chronic morphine-induced analgesic tolerance and hyperalgesia by inhibiting microglial activation. Neurological research, Volume: 44, Issue: 10	2022
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effect of plant flavonoids on the volume regulation of rat thymocytes under hypoosmotic stress. Pharmacological reports : PR, Volume: 71, Issue: 6	2019
Advances in Biosynthesis, Pharmacology, and Pharmacokinetics of Pinocembrin, a Promising Natural Small-Molecule Drug. Molecules (Basel, Switzerland), Jun-24, Volume: 24, Issue: 12	2019
Pre-Clinical Pharmacokinetic and Pharmacodynamic Characterization of Selected Chiral Flavonoids: Pinocembrin and Pinostrobin. Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques, Volume: 18, Issue: 4	2015
Pharmacokinetics, safety, and tolerability of single and multiple-doses of pinocembrin injection administered intravenously in healthy subjects. Journal of ethnopharmacology, Jun-20, Volume: 168	2015
Determination of pinocembrin in human plasma by solid-phase extraction and LC/MS/MS: application to pharmacokinetic studies. Biomedical chromatography : BMC, Volume: 28, Issue: 12	2014
Chiral analytical method development and application to pre-clinical pharmacokinetics of pinocembrin. Biomedical chromatography : BMC, Volume: 27, Issue: 6	2013
Development and validation of a high-performance liquid chromatographic method for determination of pinocembrin in rat plasma: application to pharmacokinetic study. Journal of pharmaceutical and biomedical analysis, Jul-12, Volume: 49, Issue: 5	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Preparation, Drug development and industrial pharmacy, Volume: 48, Issue: 11	2022
Preparation of Pinocembrin-Loaded F127/MPEG-PDLLA Polymer Micelles and Anti-Osteoporotic Activity. AAPS PharmSciTech, Oct-08, Volume: 23, Issue: 7	2022
Synthesis of Novel Pinocembrin Amino Acid Derivatives and Their Antiaging Effect on Drug design, development and therapy, Volume: 15	2021
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Building a minimal and generalizable model of transcription factor-based biosensors: Showcasing flavonoids. Biotechnology and bioengineering, Volume: 115, Issue: 9	2018
Phytochemicals from Goniothalamus griffithii Induce Human Cancer Cell Apoptosis. Asian Pacific journal of cancer prevention : APJCP, Volume: 17, Issue: 7	2016
Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound. Bioresource technology, Volume: 100, Issue: 14	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

pinocembrin

Description

Related Flora

Cross-References

Synonyms (116)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (4)

Protein Targets (15)

Potency Measurements

Inhibition Measurements

Biological Processes (190)

Molecular Functions (47)

Ceullar Components (21)

Bioassays (176)

Research

Studies (237)

Study Types

Related Drugs (2,616)

Related Conditions (699)

Research Highlights

Safety/Toxicity (13)

Long-term Use (1)

Pharmacokinetics (7)

Bioavailability (3)

Dosage (3)