Compounds > grayanotoxin i
Page last updated: 2024-08-02 06:53:04

grayanotoxin i

Description

grayanotoxin I: RN given refers to (3beta,6beta,14R)-isomer; structure [MeSH]

grayanotoxin I : A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. [CHeBI]

Cross-References

ID SourceID
PubMed CID9548612
CHEMBL ID3085397
SCHEMBL ID3229044
CHEBI ID5542
MeSH IDM0041440

Synonyms (35)

Synonym
asebotoxin
(14r)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate
(3beta,6beta,14r)-grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate
perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphah-cyclopenta(b)heptalen-12beta-yl acetate
acetylandromedol
CHEBI:5542 ,
grayanotoxane-3,5,6,10,14,16-hexol 14-acetate
rhodotoxin
andromedotoxin
gtx-i
nsc-26711
hsdb 3463
7,9a-methano-9ah-cyclopenta(b)heptalene-2,4,8,11,11a,12(1h)-hexol-, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2s,3as,4ar,7r,8r,9as,11r,11ar,12r)-
7,9a-methano-9ah-cyclopenta(b)heptalene-2,4,8,11,11a,12(1h)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2s,3as,4r,4ar,7r,8r,9as,11r,11ar,12r)-
g-i
nsc 26711
brn 2065643
perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphah-cyclopenta(b)heptalen-12beta-yl acetat
grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14r)-
ACON0_000384
MEGXP0_001761
ACON1_000099
grayanotoxin i
NCGC00168796-01
w4e6hc3t2b ,
unii-w4e6hc3t2b
CHEMBL3085397
grayanotoxin i [mi]
grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3.beta.,6.beta.,14r)-
7,9a-methano-9ah-cyclopenta(b)heptalene-2,4,8,11,11a,12(1h)- hexol-, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2s,3as,4ar,7r,8r,9as,11r,11ar,12r)-
SCHEMBL3229044
AKOS027326735
NCGC00168796-02
grayanotoxin i (andromedotoxin)
Q27106802

Roles (4)

RoleDescription
phytotoxinAny toxin produced by a plant.
antihypertensive agentAny drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
neuromuscular agentA drug used for its actions on skeletal muscle.

Drug Classes (5)

ClassDescription
tetracyclic diterpenoidA diterpenoid with a tetracyclic skeleton.
pentolA polyol with five hydroxy groups.
tertiary alcoholA tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
secondary alcoholA secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
acetate esterAny carboxylic ester where the carboxylic acid component is acetic acid.

Bioassays (12)

Assay IDTitleYearJournalArticle
AID1543165Analgesic activity in Kunming mouse model of acetic-acid-induced writhing assessed as inhibition of writhing numbers at 0.2 mg/kg measured for 30 mins relative to control2019Journal of natural products, 07-26, Volume: 82, Issue:7
ISSN: 1520-6025
AID1543167Analgesic activity in Kunming mouse model of acetic-acid-induced writhing assessed as inhibition of writhing numbers at 0.04 to 0.2 mg/kg measured for 30 mins relative to control2019Journal of natural products, 07-26, Volume: 82, Issue:7
ISSN: 1520-6025
AID381258Cytotoxicity against human 9KB cells relative to controlJournal of natural products, , Volume: 42, Issue:5
ISSN: 0163-3864		Cytotoxic principles from the sap of Kalmia latifolia.
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
ISSN: 1521-0111		Structure-based identification of OATP1B1/3 inhibitors.
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
ISSN: 1521-0111		Structure-based identification of OATP1B1/3 inhibitors.
AID381254Toxicity in ip dosed mouseJournal of natural products, , Volume: 42, Issue:5
ISSN: 0163-3864		Cytotoxic principles from the sap of Kalmia latifolia.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
ISSN: 1476-4679		6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.

Research

Studies (115)

TimeframeStudies, This Drug (%)All Drugs %
pre-199045 (39.13)18.7374
1990's17 (14.78)18.2507
2000's19 (16.52)29.6817
2010's30 (26.09)24.3611
2020's4 (3.48)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews9 (7.63%)6.00%
Case Studies17 (14.41%)4.05%
Observational1 (0.85%)0.25%
Other91 (77.12%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
paclitaxel
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		00low000000
baccatin iii
0
acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite00low000000
docetaxel anhydrous
0
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		00low000000
10-deacetylbaccatine iii
0
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		00low000000
ingenol
0
cyclic terpene ketone;
tetracyclic diterpenoid		00low000000
phorbol
0
cyclic ketone;
enone;
tertiary alcohol;
tertiary alpha-hydroxy ketone;
tetracyclic diterpenoid		00low000000
stevioside
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		00low000000
steviol
0
bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent00low000000
aphidicolin
0
tetracyclic diterpenoidantimicrobial 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		00low000000
sordaricin
0
3-oxo monocarboxylic acid;
aldehyde;
bridged compound;
primary alcohol;
tetracyclic diterpenoid		antifungal agent;
fungal metabolite		00low000000
komaroviquinone
0
bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug		00low000000
tiamulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug00low000000
rebaudioside a
0
beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent00low000000
cabazitaxel
0
tetracyclic diterpenoidantineoplastic agent;
microtubule-stabilising agent		00low000000
6-hydroxytaxol
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent00low000000
atractyligenine
0
carbotetracyclic compound;
dihydroxy monocarboxylic acid;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		plant metabolite00low000000
spongia-13(16),14-dien-19-oic acid
0
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		00low000000
rubusoside
0
beta-D-glucoside;
bridged compound;
steviol glycoside;
tetracyclic diterpenoid		plant metabolite;
sweetening agent		00low000000
rebaudioside d
0
rebaudioside;
sophoroside;
tetracyclic diterpenoid		sweetening agent00low000000
rebaudioside m
0
beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent00low000000
iopamidol
0
benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic		00low000000
bistris
0
pentolbuffer00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
oligomycin a
0
antibiotic antifungal agent;
diketone;
oligomycin;
pentol		antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide		00low000000
cryptocaryol a
0
2-pyranones;
pentol		plant metabolite00low000000
threo-alpha-methylisocitrate
0
methylisocitric acid;
tertiary alcohol;
tricarboxylic acid		00low000000
meglutol
0
3-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite		00low000000
bicalutamide
0
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		00low000000
biperiden
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic		00low000000
cyclopentolate
0
carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic		00low000000
cycrimine
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		00low000000
diphenidol
0
benzenes;
piperidines;
tertiary alcohol		antiemetic00low000000
fluconazole
0
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		00low000000
haloperidol
0
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		00low000000
heptaminol
0
tertiary alcohol00low000000
loperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		00low000000
oxybutynin
0
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic		00low000000
pridinol
0
piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant		00low000000
procyclidine
0
pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		00low000000
ultram
0
aromatic ether;
tertiary alcohol;
tertiary amino compound		00low000000
venlafaxine
0
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		00low000000
chlorobutanol
0
tertiary alcohol00low000000
vincristine
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		00low000000
norethindrone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive		00low000000
tert-butyl alcohol
0
tertiary alcoholhuman xenobiotic metabolite00low000000
tert-amyl alcohol
0
aliphatic alcohol;
tertiary alcohol		protic solvent00low000000
linalool
0
monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component		00low000000
hydroxycitronellal
0
tertiary alcoholallergen;
fragrance		00low000000
3-hydroxy-3-methylbutene
0
olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite		00low000000
dicofol
0
monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol		00low000000
hematoxylin
0
organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite		00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
0
terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component		00low000000
2-phenyl-2-propanol
0
benzyl alcohols;
tertiary alcohol		human xenobiotic metabolite;
Mycoplasma genitalium metabolite		00low000000
ethylestrenol
0
17beta-hydroxy steroid;
tertiary alcohol		anabolic agent00low000000
tridihexethyl
0
quaternary ammonium ion;
tertiary alcohol		anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist		00low000000
camptothecin
0
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		00low000000
stanozolol
0
17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen		00low000000
ancymidol
0
pyrimidines;
tertiary alcohol		cellulose synthesis inhibitor;
gibberellin biosynthesis inhibitor;
plant growth retardant		00low000000
butaclamol
0
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
fenarimol
0
monochlorobenzenes;
pyrimidines;
tertiary alcohol		00low000000
irinotecan
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		00low000000
cedrol
0
cedrane sesquiterpenoid;
tertiary alcohol		00low000000
hexaconazole
0
dichlorobenzene;
tertiary alcohol;
triazoles		chelator00low000000
voriconazole
0
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor00low000000
warburganal
0
tertiary alcohol00low000000
brazilin
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		00low000000
tebuconazole
0
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
cyproconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
metconazole
0
conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
(1-hydroxycyclopentyl)phenylacetic acid
0
monocarboxylic acid;
tertiary alcohol		00low000000
beta-eudesmol
0
carbobicyclic compound;
eudesmane sesquiterpenoid;
tertiary alcohol		volatile oil component00low000000
flutriafol
0
monofluorobenzenes;
tertiary alcohol;
triazoles		00low000000
elemol
0
olefinic compound;
sesquiterpenoid;
tertiary alcohol		fragrance;
plant metabolite		00low000000
biperiden hydrochloride
0
hydrochloride;
piperidines;
tertiary alcohol		antiparkinson drug;
muscarinic antagonist;
parasympatholytic		00low000000
spathulenol
0
carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol		anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component		00low000000
alpha-eudesmol
0
eudesmane sesquiterpenoid;
octahydronaphthalenes;
tertiary alcohol		volatile oil component00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
aeroplysinin i
0
tertiary alcohol00low000000
sn 38
0
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
paxilline
0
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		00low000000
cafestol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		00low000000
kahweol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
megestrol acetate
0
bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
columbianetin
0
furanocoumarin;
tertiary alcohol		00low000000
aklavinone
0
anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent00low000000
t-cadinol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		plant metabolite;
volatile oil component		00low000000
withanolide d
0
20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent00low000000
diplopterol
0
hopanoid;
pentacyclic triterpenoid;
tertiary alcohol		plant metabolite00low000000
inuviscolide
0
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol		anti-inflammatory agent;
plant metabolite		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
vincaleukoblastine
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		00low000000
Ovalicine subst.
0
tertiary alcohol00low000000
homoharringtonine
0
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor		00low000000
deltaline
0
acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound		00low000000
picrotin
0
diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite00low000000
picrotoxinin
0
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist		00low000000
cinnamodial
0
tertiary alcohol00low000000
theogallin
0
gallate ester;
monocarboxylic acid;
tertiary alcohol		00low000000
kt 5720
0
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor00low000000
ravuconazole
0
1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles		antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor		00low000000
16beta,17-dihydroxy-ent-kaurane-19-oic acid
0
bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite		00low000000
rubitecan
0
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
efinaconazole
0
conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor00low000000
manool
0
labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
t-muurolol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component		00low000000
blister
0
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone		inhibitor00low000000
senecionine
0
lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite00low000000
azadirachtin
0
acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent00low000000
ophiobolin a
0
cyclic ketone;
enal;
oxaspiro compound;
sesterterpenoid;
tertiary alcohol		00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
ethisterone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin		00low000000
naloxone
0
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		00low000000
lasalocid
0
beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore		00low000000
rhodopin
0
carotenol;
tertiary alcohol		bacterial metabolite00low000000
bedaquiline
0
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor		00low000000
manumycin
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		00low000000
squalestatin 1
0
acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite		00low000000
riddelliine n-oxide
0
diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
bacterioruberin
0
C50 carotenoid;
tertiary alcohol;
tetrol		bacterial metabolite;
biological pigment		00low000000
prothioconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
thiocarbonyl compound;
triazoles		00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
isavuconazole
0
1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug		00low000000
n-demethylloperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		drug metabolite00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
yw 3548
0
olefinic compound;
terpene lactone;
tertiary alcohol		fungal metabolite;
glycerophosphoinositol synthesis inhibitor		00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
alpha-cadinol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		fungicide;
plant metabolite;
volatile oil component		00low000000
hydroxyibuprofen
0
hydroxy monocarboxylic acid;
tertiary alcohol		drug metabolite00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
homocamptothecin
0
epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
ossamycin
0
cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite		00low000000
vibrioferrin
0
carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid		marine metabolite;
siderophore		00low000000
bms 477118
0
adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		00low000000
cubebol
0
carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		00low000000
myrocin a
0
tertiary alcoholmetabolite00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
zaragozic acid c
0
acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite		00low000000
viridiflorol
0
carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component		00low000000
oplodiol
0
carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol		plant metabolite00low000000
kt 5926
0
gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound;
tertiary alcohol		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor00low000000
methampicillin
0
monochlorobenzenes;
tertiary alcohol;
triazoles		brassinosteroid biosynthesis inhibitor00low000000
aflatoxin m1
0
aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite		00low000000
vibsanin b
0
cyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid		plant growth retardant;
plant metabolite		00low000000
gdc-0973
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		00low000000
germacradienol
0
germacrane sesquiterpenoid;
tertiary alcohol		00low000000
gsk690693
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		00low000000
azd 7545
0
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent		00low000000
benzoylaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite		00low000000
berkeleydione
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		00low000000
berkeleytrione
0
beta-diketone;
carbopolycyclic compound;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
tertiary alcohol;
tertiary alpha-hydroxy ketone		cysteine protease inhibitor;
Penicillium metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
caribenol a
0
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite		00low000000
benzoylmesaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite		00low000000
papuamide b
0
cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite		00low000000
staphyloferrin b
0
oxo carboxylic acid;
tertiary alcohol;
tricarboxylic acid amide;
tricarboxylic acid		bacterial metabolite;
siderophore		00low000000
staphyloferrin a
0
D-ornithine derivative;
pentacarboxylic acid;
tertiary alcohol;
tricarboxylic acid amide		bacterial metabolite;
siderophore		00low000000
gardenoside
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite00low000000
asperfuranone
0
2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite		00low000000
naloxegol
0
aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist		00low000000
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
praliciguat
0
aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
ambrein
0
tertiary alcohol;
triterpenoid		hypoglycemic agent;
mammalian metabolite		00low000000
enasidenib
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		00low000000
aurachin a
0
A-type aurachin;
furoquinoline;
quinoline N-oxide;
tertiary alcohol		antibacterial agent;
bacterial metabolite		00low000000
cyclooctatin
0
carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor		00low000000
grayanotoxin ii
0
tertiary alcohol00low000000
monoisopropanolamine
0
amino alcohol;
secondary alcohol		Escherichia coli metabolite00low000000
2,3-butylene glycol
0
butanediol;
glycol;
secondary alcohol		00low000000
isocitric acid
0
secondary alcohol;
tricarboxylic acid		fundamental metabolite00low000000
menthol
0
p-menthane monoterpenoid;
secondary alcohol		volatile oil component00low000000
alprenolol
0
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
bisoprolol
0
secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
carteolol
0
quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
carvedilol
0
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		00low000000
cgp 12177
0
aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
chlorphenesin carbamate
0
carbamate ester;
monochlorobenzenes;
secondary alcohol		muscle relaxant00low000000
cyclandelate
0
carboxylic ester;
secondary alcohol		vasodilator agent00low000000
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
0
benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound		00low000000
berotek
0
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		00low000000
formoterol fumarate
0
formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound		00low000000
2-propanol
0
secondary alcohol;
secondary fatty alcohol		protic solvent00low000000
isoproterenol
0
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		00low000000
labetalol
0
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		00low000000
mefloquine hydrochloride
0
organofluorine compound;
piperidines;
quinolines;
secondary alcohol		00low000000
metaproterenol
0
aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound		00low000000
methocarbamol
0
aromatic ether;
carbamate ester;
secondary alcohol		00low000000
metoprolol
0
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
midodrine
0
amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent		00low000000
practolol
0
acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist		00low000000
propafenone
0
aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug00low000000
salmeterol xinafoate
0
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound		00low000000
sotalol
0
ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic		00low000000
cycloheximide
0
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		00low000000
2-butanol
0
secondary alcohol00low000000
pseudoephedrine
0
phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		00low000000
benzohydrol
0
benzyl alcohols;
secondary alcohol		bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite		00low000000
1,3-dichloro-2-propanol
0
organochlorine compound;
secondary alcohol		cross-linking reagent;
protic solvent		00low000000
ethyl lactate
0
ethyl ester;
lactate ester;
secondary alcohol		metabolite00low000000
12-hydroxy stearic acid
0
hydroxyoctadecanoic acid;
secondary alcohol		bacterial xenobiotic metabolite;
plant metabolite		00low000000
cyclohexanol
0
cyclohexanols;
secondary alcohol		solvent00low000000
diisopropanolamine
0
aminodiol;
secondary alcohol;
secondary amino compound		buffer;
emulsifier;
surfactant		00low000000
3,3,5-trimethylcyclohexanol
0
cyclohexanols;
secondary alcohol		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor00low000000
2-methyl-5-(1-methylethenyl)cyclohexanol
0
p-menthane monoterpenoid;
secondary alcohol		acaricide;
plant metabolite;
volatile oil component		00low000000
2-hexanol
0
hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical		00low000000
2-nonanol
0
nonanol;
secondary alcohol		bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component		00low000000
ethyl mandelate
0
ethyl ester;
secondary alcohol		00low000000
hexafluoroisopropanol
0
organofluorine compound;
secondary alcohol		drug metabolite00low000000
3-quinuclidinol
0
quinuclidines;
secondary alcohol;
tertiary amine		00low000000
2-undecanol
0
secondary alcohol;
undecanol		animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component		00low000000
spectinomycin
0
cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		00low000000
2,5-hexanediol
0
glycol;
secondary alcohol		00low000000
2-octanol
0
octanol;
secondary alcohol		plant metabolite;
volatile oil component		00low000000
sulcatol
0
secondary alcoholpheromone00low000000
1-indanol
0
aromatic alcohol;
indanes;
secondary alcohol		xenobiotic00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
colterol
0
catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent		00low000000
ornidazole
0
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope		00low000000
1-chloro-2-propanol
0
organochlorine compound;
secondary alcohol		00low000000
du-21220
0
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound		00low000000
bitolterol
0
carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug		00low000000
diisopropanolnitrosamine
0
diol;
nitrosamine;
secondary alcohol		carcinogenic agent00low000000
triadimenol
0
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		00low000000
st 1059
0
aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent		00low000000
pravastatin
0
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		00low000000
ractopamine
0
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound		00low000000
ranolazine
0
aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol		00low000000
lisofylline
0
dimethylxanthine;
secondary alcohol		00low000000
esmolol
0
aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound		00low000000
eliprodil
0
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
calanolide a
0
cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite		00low000000
cephalotaxine
0
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound		00low000000
16-hydroxytestosterone
0
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol		androgen00low000000
nebivolol
0
chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound		00low000000
secnidazole
0
C-nitro compound;
imidazoles;
secondary alcohol		epitope00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
beta-amyrin
0
pentacyclic triterpenoid;
secondary alcohol		Aspergillus metabolite;
plant metabolite		00low000000
alpha-amyrin
0
pentacyclic triterpenoid;
secondary alcohol		00low000000
mandelamide
0
benzyl alcohols;
monocarboxylic acid amide;
secondary alcohol		00low000000
fluoren-9-ol
0
hydroxyfluorenes;
secondary alcohol		animal metabolite00low000000
loganin
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		00low000000
1-cyano-2-hydroxy-3-butene
0
secondary alcohol00low000000
bitertanol
0
aromatic ether;
biphenyls;
secondary alcohol;
triazoles		00low000000
taraxerol
0
pentacyclic triterpenoid;
secondary alcohol		metabolite00low000000
4,4'-oxydi-2-butanol
0
secondary alcohol00low000000
lactamide
0
monocarboxylic acid amide;
secondary alcohol		00low000000
erythrodiol
0
diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol		plant metabolite00low000000
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol
0
carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol		GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component		00low000000
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol
0
nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite		00low000000
4-hydroxydebrisoquin
0
carboxamidine;
isoquinolines;
secondary alcohol		metabolite00low000000
tabtoxin
0
dipeptide;
L-threonine derivative;
monobactam;
secondary alcohol		bacterial metabolite;
toxin		00low000000
florfenicol
0
organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone		antimicrobial agent00low000000
paliperidone
0
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol		00low000000
taraxasterol
0
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite		00low000000
cubebin
0
benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol		analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug		00low000000
bw 245c
0
imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol		00low000000
conduritol b
0
cyclitol;
secondary alcohol;
tetrol		00low000000
ml 236a
0
2-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antiatherosclerotic agent;
anticholesteremic drug;
antilipemic drug;
antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite		00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
fumagillol
0
secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent00low000000
lupeol
0
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite		00low000000
withaferin a
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer		00low000000
2-hydroxypropylphosphonic acid
0
phosphonic acids;
secondary alcohol		mouse metabolite00low000000
xv 638
0
1,3-thiazoles;
benzamides;
diazepanone;
diol;
secondary alcohol;
secondary carboxamide;
ureas		HIV protease inhibitor00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
lactucin
0
azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone		antimalarial;
plant metabolite;
sedative		00low000000
yersiniabactin
0
monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore		00low000000
prostaglandin h2
0
olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite00low000000
(north)-methanocarbathymidine
0
C-glycosyl pyrimidine;
carbobicyclic compound;
primary alcohol;
pyrimidone;
secondary alcohol		00low000000
mupirocin
0
alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor		00low000000
costatolide
0
cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite		00low000000
pf 1163a
0
aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite		00low000000
wiskostatin
0
carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound		00low000000
galanal a
0
secondary alcohol00low000000
brl 15572
0
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		00low000000
australifungin
0
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		00low000000
bryostatin 1
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		00low000000
cholecalciferol
0
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite		00low000000
leukotriene e4
0
amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol		00low000000
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2
0
prostaglandins J;
secondary alcohol		antineoplastic agent;
antiviral agent		00low000000
previtamin d(3)
0
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol		human metabolite00low000000
strigol
0
indenofuran;
secondary alcohol;
strigolactone		00low000000
eupatolide
0
gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol		antineoplastic agent;
plant metabolite		00low000000
l 683590
0
ether;
lactol;
macrolide;
secondary alcohol		antifungal agent;
bacterial metabolite;
immunosuppressive agent		00low000000
17-phenyltrinorprostaglandin e2
0
alicyclic ketone;
beta-hydroxy ketone;
hydroxy monocarboxylic acid;
olefinic compound;
oxo monocarboxylic acid;
prostanoid;
secondary alcohol		human metabolite;
prostaglandin receptor agonist		00low000000
2,3-dinor-6-ketoprostaglandin f1alpha
0
4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite00low000000
8-isoprostaglandin e2
0
cyclic ketone;
diol;
prostanoid;
secondary alcohol		bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent		00low000000
sirolimus
0
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		00low000000
calcipotriene
0
cyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol		antipsoriatic;
drug allergen		00low000000
bay u9773
0
benzoic acids;
dicarboxylic acid;
organic sulfide;
polyunsaturated fatty acid;
secondary alcohol		leukotriene antagonist00low000000
iloprost
0
carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent		00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
oridonin
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		00low000000
pederin
0
cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide		antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant		00low000000
streptogramin a
0
1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite		00low000000
benanomicin b
0
aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
pradimicin b
0
aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
poricoic acid a
0
dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite00low000000
poricoic acid g
0
dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite00low000000
pradimicin a
0
aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol		00low000000
l 685458
0
carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic		00low000000
ici 118551
0
aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
uniconazole
0
monochlorobenzenes;
secondary alcohol;
triazoles		00low000000
diniconazole
0
dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles		00low000000
lumefantrine
0
fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial00low000000
bryostatin 2
0
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist		00low000000
everolimus
0
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
terpestacin
0
secondary alcohol00low000000
chaetoviridin a
0
azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		antifungal agent;
Chaetomium metabolite		00low000000
ro 25-6981
0
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
beraprost
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		00low000000
laulimalide
0
carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent		00low000000
indacaterol
0
indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
solabegron
0
carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist00low000000
monacolin j
0
2-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite		00low000000
ustiloxin b
0
aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin		00low000000
glutinol
0
pentacyclic triterpenoid;
secondary alcohol		00low000000
3-epi-fagomine
0
amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol		EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite		00low000000
ly 411575
0
dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
2,3-dihydro-3beta-methoxy withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite		00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
allobetulinol
0
cyclic ether;
secondary alcohol;
triterpenoid		00low000000
brivanib
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		00low000000
alpha-onocerin
0
diol;
olefinic compound;
secondary alcohol;
triterpenoid		plant metabolite00low000000
olodaterol
0
aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
cortistatin a
0
cortistatins;
diol;
secondary alcohol		00low000000
amrubicinol
0
diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes		antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
pyrostatin a
0
1,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol		00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
monacolin l
0
2-pyranones;
hexahydronaphthalenes;
polyketide;
secondary alcohol		anticholesteremic drug;
Aspergillus metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor		00low000000
2,3-dihydrowithaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		plant metabolite00low000000
adonixanthin
0
carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite		00low000000
3'-hydroxyechinenone
0
carotenone;
enone;
secondary alcohol		bacterial metabolite;
biological pigment;
cofactor		00low000000
tubocapsanolide a
0
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide		antineoplastic agent;
NF-kappaB inhibitor		00low000000
pyranonigrin a
0
cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol		antioxidant;
Aspergillus metabolite;
marine metabolite		00low000000
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether
0
dimethoxybenzene;
flavonolignan;
polyphenol;
primary alcohol;
secondary alcohol		plant metabolite00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
deoxyaconitine
0
acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite00low000000
4'-epichaetoviridin A
0
azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		Chaetomium metabolite00low000000
eliglustat
0
benzodioxine;
carboxamide;
N-alkylpyrrolidine;
secondary alcohol		EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor00low000000
borrelidin
0
aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
aspergillide b
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
delanzomib
0
C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor		00low000000
albiflorin
0
benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol		neuroprotective agent;
plant metabolite		00low000000
antroquinonol d
0
enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite		00low000000
bacillaene
0
enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol		antibacterial agent;
antimicrobial agent;
bacterial metabolite		00low000000
fumonisin b4
0
diester;
fumonisin;
primary amino compound;
secondary alcohol		Aspergillus metabolite00low000000
cay 10580
0
hydroxy monocarboxylic acid;
pyrrolidin-2-ones;
secondary alcohol		prostaglandin receptor agonist00low000000
debromoaplysiatoxin
0
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist		00low000000
aplysiatoxin
0
aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist		00low000000
crambescidin 800
0
alkaloid;
carboxylic ester;
guanidines;
monocarboxylic acid amide;
organic heteropentacyclic compound;
primary amino compound;
secondary alcohol;
spiro compound		anti-HIV-1 agent;
anti-HSV-1 agent;
antimalarial;
marine metabolite		00low000000
afidopyropen
0
cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol		agrochemical;
insecticide;
TRPV channel modulator		00low000000
orobanchol
0
indenofuran;
secondary alcohol;
strigolactone		plant metabolite00low000000
aspergillide a
0
bridged compound;
cyclic ether;
macrolide;
secondary alcohol		antineoplastic agent;
Aspergillus metabolite		00low000000
capilliposide b
0
alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin		antineoplastic agent;
plant metabolite		00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
BDA-366
0
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer		00low000000
entecavir
0
2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		00low000000
chrysogine
0
cyclic amide;
quinazoline alkaloid;
quinazolines;
secondary alcohol;
secondary amide		Aspergillus metabolite;
biological pigment;
marine metabolite		00low000000
4-methylumbelliferyl acetate
0
acetate ester;
coumarins		plant metabolite00low000000
methacholine
0
acetate ester;
quaternary ammonium ion		bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent		00low000000
dilacor xr
0
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		00low000000
brl 42810
0
2-aminopurines;
acetate ester		antiviral drug;
prodrug		00low000000
hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester
0
acetate ester;
naphthalenes;
organic phosphonate		tyrosine kinase inhibitor00low000000
norethindrone acetate
0
3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive		00low000000
methylprednisolone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
medroxyprogesterone acetate
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		00low000000
methyl acetate
0
acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent		00low000000
thiopropazate
0
acetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug		00low000000
2-phenylethyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
vinyl acetate
0
acetate ester00low000000
propyl acetate
0
acetate esterfragrance;
plant metabolite		00low000000
isobutyl acetate
0
acetate esterSaccharomyces cerevisiae metabolite00low000000
octyl acetate
0
acetate esterplant metabolite00low000000
linalyl acetate
0
acetate ester;
monoterpenoid		00low000000
benzyl acetate
0
acetate ester;
benzyl ester		metabolite00low000000
ethyl acetate
0
acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite		00low000000
citronellyl acetate
0
acetate ester;
monoterpenoid		plant metabolite00low000000
cyproterone acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		00low000000
megestrol acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
amyl acetate
0
acetate estermetabolite00low000000
azaribine
0
acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug		00low000000
pn 401
0
acetate ester;
uridines		neuroprotective agent;
orphan drug;
prodrug		00low000000
tetradecanoylphorbol acetate
0
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		00low000000
butyl acetate
0
acetate estermetabolite00low000000
isoamyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
metipranolol
0
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
vecuronium
0
acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist		00low000000
colforsin
0
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		00low000000
5-bromo-4-chloroindoxyl acetate
0
acetate ester;
bromoindole;
chloroindole		chromogenic compound00low000000
diflorasone diacetate
0
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug		00low000000
chloramphenicol 3-acetate
0
acetate ester00low000000
asperuloside
0
acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite00low000000
nisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
steroid ester;
tertiary alpha-hydroxy ketone		00low000000
acequinocyl
0
1,4-naphthoquinones;
acetate ester		acaricide;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
poly-o-acetylserine
0
acetate ester;
acetyl-L-serine;
amino acid zwitterion		bacterial metabolite;
Saccharomyces cerevisiae metabolite		00low000000
1,9-dideoxyforskolin
0
acetate ester;
labdane diterpenoid;
organic heterotricyclic compound		plant metabolite00low000000
versiconal hemiacetal acetate
0
acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite00low000000
nimbin
0
acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid		pesticide;
plant metabolite		00low000000
ecteinascidin 743
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		00low000000
1'-acetoxychavicol acetate
0
acetate ester;
phenylpropanoid		antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
5-chloromethylfluorescein diacetate
0
acetate esterfluorochrome00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
ulipristal acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound		contraceptive drug;
progesterone receptor modulator;
progestin		00low000000
columbianetin acetate
0
acetate ester;
furanocoumarin		plant metabolite00low000000
acetyl aleuritolic acid
0
acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite		00low000000
taxusin
0
acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite00low000000
eslicarbazepine acetate
0
acetate ester;
carboxamide;
dibenzoazepine;
ureas		anticonvulsant;
drug allergen		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
troleandomycin
0
acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic		00low000000
fludrocortisone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone		00low000000
acetylstrophanthidin
0
acetate esteranti-arrhythmia drug00low000000
wortmannin
0
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		00low000000
rosiglitazone
0
acetate ester;
coumarins;
diester		pro-angiogenic agent;
radical scavenger		00low000000
calcein am
0
2-benzofurans;
acetate ester;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
xanthene dye		fluorochrome00low000000
pancuronium
0
acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist		00low000000
rocuronium
0
3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent		00low000000
amcinonide
0
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug00low000000
betamethasone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
gs 4071
0
acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite		00low000000
3-mercaptohexyl acetate
0
acetate ester;
alkanethiol		Saccharomyces cerevisiae metabolite00low000000
retinol acetate
0
acetate ester00low000000
pedilstatin
0
acetate ester;
phorbol ester;
primary allylic alcohol		plant metabolite00low000000
geranyl acetate
0
acetate ester;
monoterpenoid		plant metabolite00low000000
cholesterol acetate
0
acetate ester;
cholesteryl ester		human metabolite00low000000
helvolic acid
0
3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin		00low000000
bigelovin
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite		00low000000
cinnamyl acetate
0
acetate esterplant metabolite00low000000
acetylspiramycin
0
acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		00low000000
t-2 toxin
0
acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin		00low000000
vinorelbine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent		00low000000
11-cis-vaccenyl acetate
0
acetate ester00low000000
cis-3-hexenyl acetate
0
acetate ester;
olefinic compound		metabolite00low000000
rifamycin b
0
acetate ester;
carboxylic acid;
organic heterotetracyclic compound;
rifamycins		00low000000
rifamycin sv
0
acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite		00low000000
rifaximin
0
acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug		00low000000
salannin
0
acetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound		antifeedant;
insect growth regulator;
plant metabolite		00low000000
prasugrel
0
acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine		00low000000
bornyl acetate
0
acetate ester;
monoterpenoid		00low000000
px-866
0
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
HT-2 toxin
0
acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite		00low000000
16-acetylgitoxin
0
acetate ester;
cardenolide glycoside		00low000000
fr 901464
0
acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
vinflunine
0
acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent00low000000
azadirone
0
acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
gedunin
0
acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid		antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite		00low000000
azadiradione
0
acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid		anti-inflammatory agent;
antimycobacterial drug;
plant metabolite		00low000000
phentin acetate
0
acetate ester;
organotin compound		antifungal agrochemical00low000000
scalaradial
0
acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid		animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker		00low000000
euonine
0
acetate ester;
dihydroagarofuran sesquiterpenoid;
macrolide;
pyridine alkaloid;
sesquiterpene alkaloid		immunosuppressive agent;
insecticide;
plant metabolite		00low000000
epoxyazadiradione
0
acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
insecticide;
plant metabolite		00low000000
sm 1 peptide
0
acetate ester;
ergot alkaloid		metabolite00low000000
wilforgine
0
acetate ester;
dihydroagarofuran sesquiterpenoid;
furans;
macrocyclic lactone;
organic heteropentacyclic compound;
pyridine alkaloid		plant metabolite00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
3-methylthiopropionate
0
thia fatty acidphytotoxin00low000000
visnagin
0
aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent		00low000000
cytisine
0
alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite		00low000000
2,4-dihydroxy-1,4-benzoxazin-3-one
0
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
herbicide;
phytotoxin;
plant metabolite		00low000000
tomatine
0
alkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
immunological adjuvant;
phytotoxin		00low000000
miserotoxin
0
beta-D-glucoside;
C-nitro compound		phytotoxin00low000000
hc toxin
0
homodetic cyclic peptide;
tetrapeptide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin		00low000000
cercosporamide
0
dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol		antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin		00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
vomifoliol
0
(6S)-vomifoliolmetabolite;
phytotoxin		00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
alpha-solanine
0
glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite		00low000000
benzoylaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite		00low000000
dehydrotomatine
0
alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
phytotoxin;
plant metabolite		00low000000
acebutolol
0
aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		00low000000
alfuzosin
0
monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
alprenolol
0
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
amlodipine
0
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
atenolol
0
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		00low000000
bendroflumethiazide
0
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		00low000000
benzothiazide
0
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		00low000000
bepridil
0
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
bethanidine
0
guanidinesadrenergic antagonist;
antihypertensive agent		00low000000
betaxolol
0
propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
bevantolol
0
propanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker		00low000000
bisoprolol
0
secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
bretylium
0
quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		00low000000
brimonidine
0
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		00low000000
camostat
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		00low000000
candesartan
0
benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		00low000000
carteolol
0
quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
carvedilol
0
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		00low000000
chlorothiazide
0
benzothiadiazineantihypertensive agent;
diuretic		00low000000
cyclothiazide
0
benzothiadiazineantihypertensive agent;
diuretic		00low000000
debrisoquin
0
carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent		00low000000
diazoxide
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		00low000000
doxazosin
0
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent		00low000000
felodipine
0
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
fenoldopam
0
benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent		00low000000
guanethidine
0
azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent		00low000000
fasudil
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		00low000000
hydralazine
0
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent		00low000000
hydrochlorothiazide
0
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		00low000000
hydroflumethiazide
0
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		00low000000
indapamide
0
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		00low000000
avapro
0
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		00low000000
ketanserin
0
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		00low000000
losartan
0
biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist		00low000000
metolazone
0
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		00low000000
metoprolol
0
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
nimodipine
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		00low000000
nitrendipine
0
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		00low000000
palmidrol
0
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		00low000000
pindolol
0
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		00low000000
prazosin
0
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		00low000000
propranolol
0
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		00low000000
terazosin
0
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		00low000000
tolazoline
0
imidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent		00low000000
trichlormethiazide
0
benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic		00low000000
reserpine
0
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		00low000000
spironolactone
0
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		00low000000
pentolinium tartrate
0
tartrate saltantihypertensive agent00low000000
bretylium tosylate
0
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		00low000000
quinethazone
0
quinazolinesantihypertensive agent;
diuretic		00low000000
isoamyl nitrite
0
nitrite estersantihypertensive agent;
vasodilator agent		00low000000
scoparone
0
aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite		00low000000
hydralazine hydrochloride
0
hydrochlorideantihypertensive agent;
vasodilator agent		00low000000
pentamethonium
0
quaternary ammonium ionantihypertensive agent;
vasodilator agent		00low000000
vincamine
0
alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent		00low000000
trimethaphan
0
sulfonium compoundanaesthesia adjuvant;
antihypertensive agent;
nicotinic antagonist;
vasodilator agent		00low000000
lofexidine
0
aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent		00low000000
metipranolol
0
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
timolol
0
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
ticrynafen
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic		00low000000
guanadrel
0
guanidines;
spiroketal		adrenergic antagonist;
antihypertensive agent		00low000000
methyldopa
0
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		00low000000
diltiazem
0
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
carteolol hydrochloride
0
hydrochlorideanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
torsemide
0
aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic		00low000000
captopril
0
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
colforsin
0
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		00low000000
ci 906
0
hydrochlorideantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
quinapril
0
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
cilazapril, anhydrous
0
dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
carmoxirole
0
indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine		antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor		00low000000
amlodipine besylate
0
organosulfonate saltantihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
valsartan
0
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		00low000000
diltiazem hydrochloride
0
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
fosinoprilat
0
L-proline derivative;
phosphinic acids		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
telmisartan
0
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		00low000000
guanadrel sulfate
0
organic sulfate saltadrenergic antagonist;
antihypertensive agent		00low000000
perindoprilat
0
dicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
gr 117289
0
1-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent		00low000000
corilagin
0
ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
droxidopa
0
catechols;
L-tyrosine derivative		antihypertensive agent;
prodrug;
vasoconstrictor agent		00low000000
bosentan anhydrous
0
primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist		00low000000
perindopril
0
alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
betaxolol hydrochloride
0
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		00low000000
quinaprilat
0
dicarboxylic acid;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent		00low000000
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
0
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		00low000000
cleistanthin b
0
beta-D-glucoside;
cleistanthins;
monosaccharide derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic		00low000000
forasartan
0
benzenes;
pyridines;
tetrazoles;
triazoles		angiotensin receptor antagonist;
antihypertensive agent		00low000000
olmesartan
0
biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent		00low000000
fasudil hydrochloride
0
hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent		00low000000
enrasentan
0
aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist		00low000000
acebutolol hydrochloride
0
hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		00low000000
perindopril erbumine
0
addition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
metyrosine
0
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor		00low000000
raubasine
0
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent		00low000000
eplerenone
0
3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
aurapten
0
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		00low000000
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine
0
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		00low000000
spiraprilat
0
azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
rescinnamine
0
indole alkaloid;
methyl ester;
organic heteropentacyclic compound		antihypertensive agent00low000000
eprosartan
0
dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		00low000000
timolol maleate
0
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
cassaine
0
enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison		00low000000
oleuropein
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		00low000000
kaempferide
0
7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite		00low000000
morin
0
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		00low000000
rottlerin
0
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		00low000000
cilnidipine
0
2-methoxyethyl ester;
C-nitro compound;
dihydropyridine		antihypertensive agent;
calcium channel blocker;
cardiovascular drug		00low000000
uf 021
0
isopropyl ester;
ketone;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
prodrug		00low000000
travoprost
0
(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist		00low000000
4-hydroxychalcone
0
chalcones;
phenols		antihypertensive agent;
plant metabolite		00low000000
eprosartan mesylate dihydrate
0
methanesulfonate saltantihypertensive agent00low000000
camostat mesylate
0
methanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor		00low000000
dorzolamide
0
sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
bimatoprost
0
monocarboxylic acid amideantiglaucoma drug;
antihypertensive agent		00low000000
fluprostenol
0
(trifluoromethyl)benzenes;
hydroxy monocarboxylic acid;
prostaglandins Falpha		abortifacient;
antiglaucoma drug;
antihypertensive agent;
female contraceptive drug;
prostaglandin receptor agonist		00low000000
latanoprost
0
isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug		00low000000
spirapril
0
azaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
lisinopril
0
hydrateantihypertensive agent00low000000
enalapril maleate
0
maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
enalapril
0
dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug		00low000000
enalaprilat anhydrous
0
dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
trandolaprilat
0
dicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite		00low000000
imidapril
0
dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
imidaprilat
0
dicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
trandolapril
0
dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
aliskiren
0
monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent00low000000
ro 42-5892
0
cyclopropanes;
diol;
L-histidine derivative;
secondary carboxamide;
sulfone		antihypertensive agent;
EC 3.4.23.15 (renin) inhibitor;
peptidomimetic;
vasodilator agent		00low000000
phxa 85
0
hydroxy monocarboxylic acid;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
beraprost
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		00low000000
l 671152
0
hydrochloride;
organoammonium salt		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
u 62840
0
carbotricyclic compound;
carboxylic acid		antihypertensive agent;
cardiovascular drug;
human blood serum metabolite;
platelet aggregation inhibitor;
vasodilator agent;
vitamin K antagonist		00low000000
tekturna
0
fumarate saltantihypertensive agent00low000000
2-hydroxy-9-cis-octadecenoic acid
0
2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid		antihypertensive agent;
antineoplastic agent;
apoptosis inducer		00low000000
pratosartan
0
biphenylyltetrazoleantihypertensive agent00low000000
bay 58-2667
0
aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
bay 63-2521
0
aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine		antihypertensive agent;
soluble guanylate cyclase activator		00low000000
hu 308
0
aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist		00low000000
bay 60-4552
0
aminopyrimidine;
carbamate ester;
monofluorobenzenes;
pyrazolopyridine		antihypertensive agent;
drug metabolite;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
macitentan
0
aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides		antihypertensive agent;
endothelin receptor antagonist;
orphan drug		00low000000
beraprost sodium
0
organic sodium saltanti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
sodium nitrite
0
inorganic sodium salt;
nitrite salt		antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison		00low000000
apelin-13 peptide
0
oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent		00low000000
act-132577
0
aromatic ether;
organobromine compound;
pyrimidines;
sulfamides		antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite		00low000000
cleistanthin
0
cleistanthins;
xylose derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic		00low000000
vericiguat
0
aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
angiotensin i
0
angiotensin;
peptide zwitterion		antihypertensive agent;
cardioprotective agent;
human metabolite;
rat metabolite		00low000000
praliciguat
0
aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
tak 491
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug		00low000000
azilsartan
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent		00low000000
alpha-hydroxyglutarate
0
2-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite		00low000000
alpha-isopropylmalate
0
2-hydroxy carboxylic acid;
3-hydroxy carboxylic acid;
dicarboxylic acid		metabolite00low000000
acetoacetic acid
0
3-oxo fatty acid;
ketone body		metabolite00low000000
3-hydroxybenzyl alcohol
0
hydroxybenzyl alcohol;
phenols		metabolite00low000000
n-carbamoyl-beta-alanine
0
beta-alanine derivativemetabolite;
mouse metabolite		00low000000
ethylene glycol
0
ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin		00low000000
acetoin
0
methyl ketone;
secondary alpha-hydroxy ketone		metabolite00low000000
ammonium hydroxide
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		00low000000
benzyl alcohol
0
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		00low000000
carbon monoxide
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		00low000000
formic acid
0
monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent		00low000000
4-hydroxymandelic acid
0
2-hydroxy carboxylic acid;
phenols		metabolite00low000000
aminoethylphosphonic acid
0
phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite		00low000000
hydrogen sulfide
0
gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent		00low000000
4-aminophenol
0
aminophenolallergen;
metabolite		00low000000
n(1)-acetylspermidine
0
acetylspermidineEscherichia coli metabolite;
metabolite		00low000000
aminocaproic acid
0
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		00low000000
dihydrouracil
0
pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
dihydroxyacetone
0
ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
dimethylamine
0
methylamines;
secondary aliphatic amine		metabolite00low000000
glycolic acid
0
2-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite		00low000000
hydantoin-5-propionic acid
0
imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
niacinamide
0
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		00low000000
niacin
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		00low000000
orotic acid
0
pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
oxaloacetic acid
0
C4-dicarboxylic acid;
oxo dicarboxylic acid		geroprotector;
metabolite		00low000000
porphobilinogen
0
aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
1-propanol
0
propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent		00low000000
trimethyloxamine
0
tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte		00low000000
6-hydroxymelatonin
0
acetamides;
tryptamines		metabolite;
mouse metabolite		00low000000
n-acetylphenylalanine
0
N-acetyl-amino acid;
phenylalanine derivative		antidepressant;
metabolite		00low000000
n-acetyltryptophan
0
N-acetyl-amino acid;
tryptophan derivative		metabolite00low000000
arecoline
0
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist		00low000000
aristolochic acid i
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
berberine
0
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		00low000000
dibutyl phthalate
0
diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent		00low000000
hydroxymethyltolbutamide
0
benzyl alcohols;
sulfonamide;
ureas		metabolite00low000000
methyl salicylate
0
benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite		00low000000
myristicin
0
organic molecular entitymetabolite00low000000
phenmetrazine
0
morpholinesmetabolite;
sympathomimetic agent		00low000000
phenylbutazone
0
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
safrole
0
benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite		00low000000
2,2'-thiodiethanol
0
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		00low000000
sorbitol
0
glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent		00low000000
alloxan
0
pyrimidonehyperglycemic agent;
metabolite		00low000000
thymidine
0
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
glutamine
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		00low000000
allyl isothiocyanate
0
alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite		00low000000
n-methyltryptamine
0
tryptamine alkaloid;
tryptamines		metabolite00low000000
4-deoxypyridoxine
0
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite00low000000
cycloserine
0
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		00low000000
17-alpha-hydroxyprogesterone
0
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		00low000000
mannitol
0
mannitolallergen;
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		00low000000
phenacyl bromide
0
acetophenones;
alpha-bromoketone		metabolite00low000000
trichloroacetic acid
0
monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
acrylic acid
0
alpha,beta-unsaturated monocarboxylic acidmetabolite00low000000
n-methylacetamide
0
acetamides;
monocarboxylic acid amide		metabolite00low000000
bis(4-hydroxyphenyl)sulfone
0
bisphenol;
sulfone		endocrine disruptor;
metabolite		00low000000
rotenone
0
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		00low000000
7-amino-4-hydroxy-2-naphthalenesulfonic acid
0
aminonaphthalenesulfonic acid;
naphthols		metabolite00low000000
methyl benzoate
0
benzoate ester;
methyl ester		insect attractant;
metabolite		00low000000
2-dichlorobenzene
0
dichlorobenzenehepatotoxic agent;
metabolite		00low000000
2,4-diaminotoluene
0
aminotoluenemetabolite00low000000
4-butyrolactone
0
butan-4-olidemetabolite;
neurotoxin		00low000000
sulfosalicylic acid
0
arenesulfonic acid;
benzoic acids;
phenols		metabolite00low000000
ethyl lactate
0
ethyl ester;
lactate ester;
secondary alcohol		metabolite00low000000
furaldehyde
0
aldehyde;
furans		Maillard reaction product;
metabolite		00low000000
thiophene-2-carboxaldehyde
0
aldehyde;
thiophenes		metabolite00low000000
alpha-resorcylic acid
0
dihydroxybenzoic acid;
resorcinols		metabolite00low000000
methylenebis(chloroaniline)
0
chloroanilinemetabolite00low000000
2-phenylethyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
dibenzyl ether
0
benzyl ethermetabolite00low000000
ethyl propionate
0
propanoate estermetabolite00low000000
citronellal
0
aldehyde;
monoterpenoid		antifungal agent;
metabolite		00low000000
ethyl oenanthate
0
fatty acid ethyl estermetabolite00low000000
ethyl caprylate
0
fatty acid ethyl ester;
octanoate ester		metabolite00low000000
ethyl laurate
0
fatty acid ethyl estermetabolite00low000000
acetic anhydride
0
acyclic carboxylic anhydridemetabolite;
reagent		00low000000
ethyl isovalerate
0
fatty acid ethyl ester;
olefinic compound		metabolite00low000000
n-butyl n-butyrate
0
butyrate estermetabolite00low000000
ethyl decanoate
0
decanoate ester;
fatty acid ethyl ester		metabolite00low000000
methyl octanoate
0
fatty acid methyl ester;
octanoate ester		metabolite00low000000
2-octanone
0
methyl ketonemetabolite00low000000
hexylamine
0
primary aliphatic aminemetabolite00low000000
lauric acid methyl ester
0
dodecanoate ester;
fatty acid methyl ester		metabolite00low000000
octylamine
0
primary aliphatic aminemetabolite00low000000
n-decyl alcohol
0
decanol;
primary alcohol		metabolite;
pheromone;
protic solvent		00low000000
methyl palmitate
0
fatty acid methyl estermetabolite00low000000
maltol
0
4-pyranonesmetabolite00low000000
chloranil
0
1,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite		00low000000
dibenzoylmethane
0
aromatic ketone;
beta-diketone		antimutagen;
antineoplastic agent;
metabolite		00low000000
methyl anthranilate
0
benzoate esterflavouring agent;
metabolite		00low000000
benzyl acetate
0
acetate ester;
benzyl ester		metabolite00low000000
ethyl acetate
0
acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite		00low000000
dibenzyl disulfide
0
organic aromatic compound;
organic disulfide		metabolite00low000000
mequinol
0
methoxybenzenes;
phenols		metabolite00low000000
gamma-resorcylic acid
0
dihydroxybenzoic acidmetabolite00low000000
kynuramine
0
kynurenamines;
primary amino compound		metabolite00low000000
5-methylpyrazole-3-carboxylic acid
0
monocarboxylic acid;
pyrazoles		metabolite00low000000
4-trifluoromethylaniline
0
(trifluoromethyl)benzenes;
substituted aniline		metabolite00low000000
methylguanidine
0
guanidinesEC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite;
uremic toxin		00low000000
liriodenine
0
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		00low000000
plumbagin
0
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		00low000000
imperatorin
0
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
osthol
0
botanical anti-fungal agent;
coumarins		metabolite00low000000
Dillapiole
0
benzodioxolesmetabolite00low000000
coumaran
0
1-benzofuransmetabolite00low000000
1,3-propanediol
0
propane-1,3-diolsmetabolite;
protic solvent		00low000000
tridecanedioic acid
0
alpha,omega-dicarboxylic acidmetabolite00low000000
physcione
0
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		00low000000
apiole
0
benzodioxolesmetabolite00low000000
flavone
0
flavonesmetabolite;
nematicide		00low000000
cetyl palmitate
0
hexadecanoate estermetabolite00low000000
n-amyl butyrate
0
butyrate estermetabolite00low000000
3-aminobutyric acid
0
amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite00low000000
methyl lactate
0
lactate ester;
methyl ester		metabolite00low000000
paeonol
0
methoxybenzenes;
phenols		metabolite00low000000
2,2-dimethylbutyric acid
0
dimethylbutyric acidmetabolite00low000000
2-chloroacrylic acid
0
alpha,beta-unsaturated monocarboxylic acid;
chlorocarboxylic acid		metabolite00low000000
galactitol
0
hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
1-methyluracil
0
nucleobase analogue;
pyrimidone		metabolite00low000000
2-pyrrolidone
0
pyrrolidin-2-onesmetabolite;
polar solvent		00low000000
n-ethylacetamide
0
acetamidesmetabolite00low000000
6-methyluracil
0
pyrimidonemetabolite00low000000
3-methylglutaric acid
0
alpha,omega-dicarboxylic acidmetabolite00low000000
amyl acetate
0
acetate estermetabolite00low000000
dibenzothiophene 5-oxide
0
dibenzothiophenesmetabolite00low000000
2-acetamidoethanethiol
0
acetamidesmetabolite00low000000
2-hydroxyquinoxaline
0
hydroxyquinoxalinemetabolite00low000000
3,4-dihydroxyacetophenone
0
acetophenones;
catechols;
dihydroxyacetophenone		metabolite00low000000
methyl hippurate
0
glycine derivative;
methyl ester		metabolite00low000000
isobarbaloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
methyl tert-butyl ether
0
etherfuel additive;
metabolite;
non-polar solvent		00low000000
4-octylphenol
0
phenolsmetabolite;
surfactant;
xenoestrogen		00low000000
dronabinol
0
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic		00low000000
phenethyl isothiocyanate
0
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		00low000000
2-methoxy-1,4-naphthoquinone
0
1,4-naphthoquinones;
enol ether		antimicrobial agent;
metabolite;
plant metabolite		00low000000
aviprin
0
furanocoumarinmetabolite00low000000
hydroxyphenytoin
0
imidazolidine-2,4-dione;
phenols		metabolite00low000000
squaric acid
0
alicyclic ketone;
carbon oxoacid		metabolite00low000000
methyl methanethiosulfonate
0
sulfonic acid derivative;
thiosulfonate ester		metabolite00low000000
arabinofuranosyluracil
0
N-glycosyl compoundmetabolite00low000000
6-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite00low000000
mannose
0
D-aldohexose;
D-mannose;
mannopyranose		metabolite00low000000
2,3-hexanedione
0
alpha-diketonemetabolite00low000000
tabersonine
0
alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		antineoplastic agent;
metabolite		00low000000
3,3-dimethylglutarate
0
alpha,omega-dicarboxylic acidmetabolite00low000000
raspberry ketone
0
methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite		00low000000
laurolitsine
0
aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite		00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
diethyl malate
0
malate estermetabolite00low000000
carbendazim
0
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent		00low000000
glucoheptonate
0
carbohydrate acid;
monocarboxylic acid		metabolite00low000000
deslanoside
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		00low000000
streptozocin
0
N-acylglucosamine;
N-nitrosoureas		antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite		00low000000
pedalitin
0
monomethoxyflavone;
tetrahydroxyflavone		EC 1.17.3.2 (xanthine oxidase) inhibitor;
metabolite		00low000000
ethyl nonanoate
0
fatty acid ethyl estermetabolite00low000000
ethyl hexanoate
0
fatty acid ethyl ester;
hexanoate ester		metabolite00low000000
butyl acetate
0
acetate estermetabolite00low000000
1,4-dioxane
0
dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent		00low000000
isoamyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
ribostamycin
0
amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite		00low000000
tramadol
0
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic 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		00low000000
6-pentylpyrone
0
2-pyranonesmetabolite00low000000
paclitaxel
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		00low000000
4-methylhistamine
0
aralkylamino compound;
imidazoles		histamine agonist;
metabolite		00low000000
perfosfamide
0
nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide		alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite		00low000000
castanospermine
0
indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite		00low000000
pravastatin
0
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		00low000000
3-methyl-2-butenal
0
enalmetabolite00low000000
ethyl 3-hydroxybutyrate
0
fatty acid ethyl estermetabolite00low000000
4,5-dimethyl-3-hydroxy-2(5h)-furanone
0
butenolidemetabolite00low000000
n-methylnicotinamide
0
pyridinecarboxamidemetabolite00low000000
3-aminoisobutyric acid
0
amino acid zwitterion;
beta-amino acid		metabolite00low000000
platanic acid
0
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid		anti-HIV agent;
metabolite		00low000000
2'-deoxyuridylic acid
0
deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
gallocatechol
0
gallocatechinantioxidant;
metabolite;
radical scavenger		00low000000
1-methylinosine
0
inosinesmetabolite00low000000
dihydrobetulinic acid
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		00low000000
bergenin
0
trihydroxybenzoic acidmetabolite00low000000
2-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		00low000000
3'-cmp
0
cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
xanthoxyletin
0
coumarinsmetabolite00low000000
pinocembrin
0
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		00low000000
orsellinic acid
0
dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite		00low000000
isoimperatorin
0
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
rotenolone
0
organic molecular entitymetabolite00low000000
seselin
0
coumarinsmetabolite00low000000
perillene
0
furans;
monoterpenoid		fragrance;
metabolite;
semiochemical		00low000000
glycine methyl ester
0
glycinyl estermetabolite00low000000
hexadecanamide
0
primary fatty amidemetabolite00low000000
benzocyclobutene
0
carbobicyclic compoundmetabolite00low000000
9-methyladenine
0
methyladeninemetabolite00low000000
n'-methyl-2-pyridone-5-carboxamide
0
methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite		00low000000
1,3-dimethyluracil
0
pyrimidonemetabolite00low000000
3-methoxysalicylic acid
0
methoxysalicylic acidmetabolite00low000000
1,3-dimethyluric acid
0
oxopurinemetabolite00low000000
leucyltyrosine
0
dipeptidemetabolite00low000000
3-methylxanthine
0
3-methylxanthinemetabolite00low000000
leucyl-glycyl-glycine
0
tripeptidemetabolite00low000000
acetylleucine
0
L-leucine derivative;
N-acetyl-L-amino acid		metabolite00low000000
n-benzoylalanine, (dl-ala)-isomer
0
alanine derivative;
N-acyl-amino acid		metabolite00low000000
dipropylacetamide
0
fatty amidegeroprotector;
metabolite;
teratogenic agent		00low000000
masoprocol
0
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		00low000000
7-methyladenine
0
methyladeninemetabolite00low000000
acetylisoniazid
0
carbohydrazidemetabolite00low000000
illimaquinone
0
monohydroxy-1,4-benzoquinones;
prenylquinone		metabolite00low000000
coptisine
0
alkaloidmetabolite00low000000
betulin
0
diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
narciclasine
0
phenanthridinesmetabolite00low000000
lividomycin
0
lividomycinsmetabolite00low000000
dmp 323
0
diazepanone;
ureas		anti-HIV agent;
metabolite		00low000000
eupolauridine
0
naphthyridine derivativemetabolite00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
2-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine		metabolite00low000000
(-)-catechin
0
catechinmetabolite00low000000
dehydrocostus lactone
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug		00low000000
Tormentic acid
0
triterpenoidmetabolite00low000000
pinobanksin
0
secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite		00low000000
sigmoidin a
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger		00low000000
xanthosine 5'-triphosphate
0
purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
monotropein
0
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite		00low000000
glycyl-histidyl-lysine
0
tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary		00low000000
homoeriodictyol
0
3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite		00low000000
arjunolic acid
0
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite		00low000000
oxazolidin-2-one
0
carbamate ester;
oxazolidinone		metabolite00low000000
monoethyl phthalate
0
ethyl ester;
phthalic acid monoester		metabolite00low000000
methylimidazoleacetic acid
0
imidazoles;
monocarboxylic acid		GABA agonist;
metabolite		00low000000
2-(2-aminoethyl)pyridine
0
aminoalkylpyridine;
primary amine		histamine agonist;
metabolite		00low000000
xanthurenic acid 8-methyl ether
0
aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
methyl orsellinate
0
hydroxybenzoic acidmetabolite00low000000
2,2-di(4-methacryloxyphenyl)propane
0
bisphenol;
enoate ester		metabolite00low000000
sofosbuvir
0
aminopyrimidine;
aromatic carboxylic acid;
nucleobase analogue;
pyrimidone		metabolite00low000000
3-methyluracil
0
nucleobase analogue;
pyrimidone		metabolite00low000000
1-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
leucyl-alanine
0
dipeptidemetabolite00low000000
leucyl-leucyl-leucine
0
tripeptidemetabolite00low000000
3,4-dihydroxyphenylethanol
0
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		00low000000
3,7-dimethyluric acid
0
oxopurinemetabolite;
mouse metabolite		00low000000
alanylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
d-biotin-d-sulfoxide
0
biotins;
sulfoxide		metabolite00low000000
biotin sulfone
0
biotins;
sulfone		metabolite00low000000
asperuloside
0
acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite00low000000
primin
0
1,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite		00low000000
2-(hydroxymethyl)anthraquinone
0
anthraquinonemetabolite00low000000
tyrosylleucine
0
dipeptidemetabolite00low000000
o-methylserine
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		metabolite00low000000
cinchonine
0
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite00low000000
aucubin
0
organic molecular entitymetabolite00low000000
catalpol
0
organic molecular entitymetabolite00low000000
3,4-dihydroxyphenylglycol
0
catechols;
tetrol		metabolite;
mouse metabolite		00low000000
2-methylhistamine
0
aralkylamino compound;
imidazoles		histamine agonist;
metabolite		00low000000
2-methylhippuric acid
0
N-acylglycinemetabolite00low000000
taraxerol
0
pentacyclic triterpenoid;
secondary alcohol		metabolite00low000000
alpha-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite		00low000000
3-acetyllupeol
0
organic molecular entitymetabolite00low000000
lupenone
0
triterpenoidmetabolite00low000000
glycyltryptophan
0
dipeptidemetabolite00low000000
monocerin
0
hydroxybenzoic acidmetabolite00low000000
propionyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
alpha-hydroxyisocaproic acid
0
2-hydroxy fatty acid;
branched-chain fatty acid		metabolite00low000000
totarol
0
diterpenoidmetabolite00low000000
taraxerone
0
scalarane sesterterpenoidmetabolite00low000000
prunin protein, prunus
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
uvaol
0
triterpenoidmetabolite00low000000
glycyltyrosine
0
dipeptidemetabolite00low000000
glycylleucine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
alanyltyrosine
0
dipeptidemetabolite00low000000
glycyl-l-phenylalanine
0
dipeptide zwitterion;
dipeptide		human metabolite;
metabolite		00low000000
digoxigenin-mono(digitoxoside)
0
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid saponin		metabolite00low000000
thiazolidine-4-carboxylic acid, (r)-isomer
0
thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite		00low000000
5,6-dihydrothymine
0
pyrimidonehuman metabolite;
metabolite;
mouse metabolite		00low000000
dehydroabietic acid
0
abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite		00low000000
palmitone
0
dialkyl ketoneanticonvulsant;
metabolite		00low000000
1-methylthymine
0
methylthyminemetabolite00low000000
imidazoleacetic acid
0
imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
1-methylguanosine
0
methylguanosinemetabolite00low000000
alanylphenylalanine
0
dipeptidemetabolite00low000000
murrayanine
0
carbazolesmetabolite00low000000
girinimbine
0
carbazolesmetabolite00low000000
tryptophylglycine
0
dipeptidemetabolite00low000000
canthin-6-one
0
enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite		00low000000
glycylaspartic acid
0
dipeptidemetabolite00low000000
4-methylhippuric acid
0
N-acylglycinemetabolite00low000000
delta(9)-tetrahydrocannabinolic acid
0
benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent		00low000000
3-methylhippuric acid
0
N-acylglycinemetabolite00low000000
n-glycylglutamic acid
0
dipeptidemetabolite00low000000
n-caproylglycine
0
N-acylglycinemetabolite00low000000
diosgenin
0
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		00low000000
s-2-aminoethyl cysteine
0
L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor;
metabolite;
protein synthesis inhibitor		00low000000
4-hydroxycyclophosphamide
0
nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite		00low000000
alpha-glutamyltryptophan
0
dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite		00low000000
malabaricone c
0
butanonemetabolite00low000000
loliolide
0
benzofuransmetabolite00low000000
tuberostemonine
0
alkaloidmetabolite00low000000
pyrrole-3-carboxylic acid
0
pyrrolecarboxylic acidmetabolite;
Penicillium metabolite		00low000000
histidylglycine
0
dipeptidemetabolite00low000000
histidinoalanine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
cinchonidine
0
(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite00low000000
quillaic acid
0
aldehyde;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite		00low000000
p-methoxy-n-methylphenethylamine
0
aromatic ether;
secondary amino compound		metabolite00low000000
ecgonine methyl ester
0
methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug		00low000000
n-acetylcytidine
0
acetamides;
cytidines;
secondary carboxamide		metabolite00low000000
4-hydroxydebrisoquin
0
carboxamidine;
isoquinolines;
secondary alcohol		metabolite00low000000
hypotaurine
0
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		00low000000
epicatechin gallate
0
catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
versiconal hemiacetal acetate
0
acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite00low000000
selenodiglutathione
0
glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite		00low000000
coprine
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		00low000000
aristolochic acid ii
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
exp3174
0
biphenylyltetrazole;
imidazoles;
organochlorine compound		metabolite00low000000
ribonolactone
0
butan-4-olide;
ribonolactone		metabolite00low000000
sulfamethoxazole hydroxylamine
0
isoxazoles;
sulfonamide		allergen;
metabolite		00low000000
androsterone glucuronide
0
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
sapintoxin d
0
phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite		00low000000
amarogentin
0
monosaccharide derivative;
secoiridoid glycoside		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite		00low000000
taraxasterol
0
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite		00low000000
asiatic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		00low000000
flavoglaucin
0
hydroquinonesmetabolite00low000000
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone
0
benzofuransmetabolite00low000000
dioscin
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		00low000000
maculosin
0
dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite00low000000
n(4)-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
n-acetylputrescine
0
N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite		00low000000
4'-demethylpodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite00low000000
lysicamine
0
alkaloid antibiotic;
oxoaporphine alkaloid		metabolite00low000000
celastrol
0
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		00low000000
procyanidin b2
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite		00low000000
aromadedrin
0
4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone		metabolite00low000000
3-methylthymine
0
methylthymine;
pyrimidone		metabolite00low000000
tyrosyl-glycyl-glycine
0
tripeptide zwitterion;
tripeptide		metabolite00low000000
cyclic adp-ribose
0
cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist		00low000000
glycylglutamine
0
dipeptide zwitterion;
dipeptide		metabolite;
protective agent		00low000000
alanylglutamine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
naadp
0
nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule		00low000000
procyanidin b5
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		metabolite00low000000
proanthocyanidin a2
0
hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite		00low000000
dihydrosanguinarine
0
benzophenanthridine alkaloidantifungal agent;
metabolite		00low000000
tetrahydrocurcumin
0
beta-diketone;
diarylheptanoid;
polyphenol		metabolite00low000000
eriodictyol 7-glucuronide
0
3'-hydroxyflavonoid;
beta-D-glucosiduronic acid		EC 1.1.1.21 (aldehyde reductase) inhibitor;
metabolite		00low000000
beta-lipotropin, gln(9)-
0
catechols;
crown compound;
macrocyclic lactone		bacterial metabolite;
metabolite		00low000000
4-nitrososulfamethoxazole
0
isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite		00low000000
protosappanin a
0
catecholsmetabolite00low000000
3,3'-neotrehalosadiamine
0
amino disaccharide;
glycosyl glycoside derivative		antimicrobial agent;
metabolite		00low000000
salvinorin a
0
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		00low000000
cyanidin
0
5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
marsupsin
0
1-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
6,6'-bieckol
0
aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger		00low000000
3-methylcytosine
0
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite00low000000
eckol
0
phlorotanninantioxidant;
metabolite		00low000000
procyanidin b3
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
phenylalanylarginine
0
dipeptidemetabolite00low000000
prolylarginine
0
dipeptidemetabolite00low000000
5-methoxytryptophan
0
L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite00low000000
phenylalanylglutamate
0
dipeptidemetabolite00low000000
aspartylglycine
0
dipeptidemetabolite00low000000
aspartylglutamate
0
dipeptidemetabolite00low000000
5-hydroxypipecolic acid
0
piperidinemonocarboxylic acidmetabolite00low000000
prolyl-tyrosine
0
dipeptidemetabolite00low000000
histidylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
phenylalanyl-glycyl-glycine
0
tripeptidemetabolite00low000000
leucylarginine
0
dipeptidemetabolite00low000000
pendolmycin
0
indolesmetabolite00low000000
atractylenolide iii
0
naphthofuranmetabolite00low000000
malvidin
0
5-hydroxyanthocyanidinbiological pigment;
metabolite		00low000000
5-hydroxytryptoline
0
beta-carbolinesmetabolite00low000000
perlolyrine
0
organic molecular entitymetabolite00low000000
endocrocin
0
monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite00low000000
sulochrin
0
benzophenones;
carboxylic ester;
phenols		metabolite00low000000
i-677
0
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
isohomovanillic acid
0
aromatic ether;
phenols;
phenylacetic acids		metabolite00low000000
4-amino-2-methoxypyrimidine
0
aminopyrimidine;
aromatic ether;
methylcytosine		metabolite00low000000
asimilobine
0
aporphine alkaloidmetabolite00low000000
aristolochic acid D
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin		00low000000
leukodopachrome
0
hydroxy monocarboxylic acid;
indoles		metabolite00low000000
ampelopsin
0
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		00low000000
pinusolide
0
diterpene lactonemetabolite00low000000
2,4,5-trihydroxypentanoic acid gamma-lactone
0
ribonolactonemetabolite00low000000
hydroxysitosterol
0
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid		metabolite;
plant metabolite		00low000000
jolkinolide a
0
diterpene lactonemetabolite00low000000
jolkinolide b
0
diterpene lactonemetabolite00low000000
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine
0
1-alkyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine O-16:0		metabolite00low000000
isovitexin
0
C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
dopamine quinone
0
1,2-benzoquinones;
primary amino compound		metabolite00low000000
platycodin d
0
triterpenoid saponinmetabolite00low000000
frenolicin b
0
benzoisochromanequinone;
p-quinones		metabolite00low000000
4-oxopentanal
0
ketoaldehydemetabolite00low000000
my 12-62c
0
monohydroxyquinoline;
quinolone		antibacterial agent;
iron chelator;
metabolite;
signalling molecule		00low000000
3,4-dihydroxyphenylpyruvic acid
0
2-oxo monocarboxylic acidmetabolite00low000000
proximadiol
0
eudesmane sesquiterpenoidmetabolite00low000000
aristolochic acid c
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
phenylacetyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
taxusin
0
acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite00low000000
confertin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
beta-methylcrotonylglycine
0
N-acylglycinemetabolite00low000000
tracheloside
0
glycoside;
lignan		metabolite00low000000
maytenonic acid
0
triterpenoidmetabolite00low000000
procyanidin C1
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		00low000000
3-methyleneindolenine
0
indolesmetabolite00low000000
isopulegol
0
p-menthane monoterpenoidmetabolite00low000000
kadsurin
0
tanninmetabolite00low000000
lysylproline
0
dipeptidemetabolite00low000000
5-o-methylembelin
0
enol ether;
monohydroxy-1,4-benzoquinones		antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite		00low000000
dihydrodaidzein
0
hydroxyisoflavanonemetabolite00low000000
4'-o-methylepigallocatechin
0
catechinmetabolite00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
limonin
0
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		00low000000
dichamanetin
0
diarylheptanoidmetabolite00low000000
brevianamide f
0
dipeptide;
indoles;
pyrrolopyrazine		metabolite00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
4-sulfocatechol
0
dihydroxybenzenesulfonic acidmetabolite00low000000
histidylleucine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
7-methoxyheptaphylline
0
carbazolesmetabolite00low000000
phenylalanylserine
0
dipeptidemetabolite00low000000
phellamurin
0
4'-hydroxyflavanones;
beta-D-glucoside;
dihydroflavonols;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		metabolite00low000000
prolylglutamic acid
0
dipeptidemetabolite00low000000
nantenine
0
oxoaporphine alkaloidmetabolite00low000000
hydrastine
0
isoquinolinesmetabolite00low000000
butyrylcarnitine
0
O-butanoylcarnitine;
saturated fatty acyl-L-carnitine		metabolite00low000000
2-hydroxyestradiol
0
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		00low000000
aromaticin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
acivicin
0
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		00low000000
n-methylcorydaldine
0
quinolonemetabolite00low000000
2-amino-3,3-dimethylbutanoic acid
0
non-proteinogenic alpha-amino acidmetabolite00low000000
pentabromopseudilin
0
pyrrolesmetabolite00low000000
rocaglamide
0
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound		antileishmanial agent;
antineoplastic agent;
metabolite		00low000000
dentatin
0
coumarinsmetabolite00low000000
acronine
0
acridone derivatives;
alkaloid		antineoplastic agent;
metabolite		00low000000
enmein
0
delta-lactonemetabolite00low000000
5-aminonicotinic acid
0
aminonicotinic acid;
aminopyridine;
aromatic amine		metabolite00low000000
pomolic acid
0
triterpenoidmetabolite00low000000
aglafoline
0
methyl ester;
organic heterotricyclic compound		metabolite;
platelet aggregation inhibitor		00low000000
isomaltose
0
glycosylglucosehuman metabolite;
metabolite;
mouse metabolite		00low000000
deoxyglucose
0
2-deoxy-D-glucosemetabolite00low000000
vestitone
0
(3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone		antibacterial agent;
metabolite		00low000000
pantetheine
0
pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite		00low000000
salicin
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		00low000000
taxifolin
0
taxifolinmetabolite00low000000
n-formylmethionine
0
L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid		metabolite00low000000
fucose
0
deoxygalactosemetabolite00low000000
saponarin
0
C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
cyanidin 3-o-beta-d-glucopyranoside
0
anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative		metabolite00low000000
silychristin
0
1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger		00low000000
peonidin
0
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite		00low000000
convallatoxin
0
14beta-hydroxy steroid;
19-oxo steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
steroid aldehyde;
steroid lactone		metabolite;
vasodilator agent		00low000000
furostanol i
0
beta-D-glucoside;
cyclic hemiketal;
pentacyclic triterpenoid;
steroid saponin;
trisaccharide derivative		metabolite00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
abyssinone v
0
4'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite00low000000
davidigenin
0
dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite		00low000000
farrerol
0
organic molecular entitymetabolite00low000000
naringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
isonaringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
vicenin ii
0
C-glycosyl compound;
trihydroxyflavone		metabolite00low000000
eugeniin
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		00low000000
knipholone
0
aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite		00low000000
alpha bitter acid
0
aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite		00low000000
acanthoside b
0
beta-D-glucosidemetabolite00low000000
chlorpromazine n-oxide
0
organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite00low000000
3-hydroxyaspartic acid, (threo-l)-isomer
0
3-hydroxy-L-aspartic acidmetabolite00low000000
cyclo(l-phe-l-pro)
0
organic molecular entitymetabolite00low000000
pyochelin
0
monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore		00low000000
surfactin c
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant		00low000000
petunidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite		00low000000
malvidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite00low000000
dioncophylline a
0
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide		00low000000
dioncophylline c
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite		00low000000
latrunculin a
0
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		00low000000
aglucovancomycin b
0
cyclic ether;
heterodetic cyclic peptide;
peptide antibiotic;
peptide zwitterion;
polyphenol		metabolite00low000000
(S)-ATPA
0
isoxazoles;
non-proteinogenic L-alpha-amino acid		metabolite00low000000
epothilone a
0
epothilone;
epoxide		antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator		00low000000
alitretinoin
0
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		00low000000
isoleucylvaline
0
dipeptidemetabolite00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
3-hydroxyhippuric acid
0
N-acylglycine;
phenols		metabolite00low000000
12-deoxyphorbol 13-acetate
0
phorbol estermetabolite00low000000
conidendrin
0
lignanmetabolite00low000000
bevirimat
0
dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite		00low000000
azaserine
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		00low000000
16beta,17-dihydroxy-ent-kaurane-19-oic acid
0
bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite		00low000000
glycyrin
0
aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite		00low000000
reynosin
0
organic heterotricyclic compound;
sesquiterpene lactone		metabolite00low000000
moronic acid
0
pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite		00low000000
maltitol
0
alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent		00low000000
Phe-Tyr
0
dipeptidemetabolite00low000000
2-acetyl-1-pyrroline
0
acylimine;
methyl ketone;
pyrroline		flavouring agent;
Maillard reaction product;
metabolite		00low000000
methyl indole-3-carboxylate
0
indoles;
methyl ester		metabolite00low000000
camalexin
0
1,3-thiazoles;
indole phytoalexin		metabolite00low000000
komaroviquinone
0
bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug		00low000000
2-hydroxycinnamic acid
0
2-coumaric acid;
phenols		antioxidant;
metabolite		00low000000
16-epivincamine
0
alkaloidmetabolite00low000000
diethyl fumarate
0
diestermetabolite00low000000
isoliquiritigenin
0
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		00low000000
1-acetyl-beta-carboline
0
harmala alkaloidmetabolite00low000000
propolin c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
xanthohumol
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		00low000000
butylidenephthalide
0
2-benzofurans;
gamma-lactone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hypoglycemic agent;
metabolite		00low000000
malonyl coenzyme a
0
malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
imidazol-1-ylacetic acid
0
imidazolyl carboxylic acidmetabolite00low000000
captax
0
aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite		00low000000
n-acetyltryptophan
0
L-tryptophan derivative;
N-acetyl-L-amino acid		metabolite00low000000
cinnamoylglycine
0
N-acylglycinemetabolite00low000000
n-benzoylalanine
0
N-acyl-L-alanine;
N-benzoylalanine		metabolite00low000000
isoferulic acid
0
ferulic acidsantioxidant;
biomarker;
metabolite		00low000000
oxypeucadanin, (r)-(+)-isomer
0
furanocoumarinmetabolite00low000000
curcumin
0
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		00low000000
thiouracil
0
nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite		00low000000
allylthiourea
0
thioureasmetabolite00low000000
n-glycylalanine
0
dipeptidemetabolite00low000000
caryophyllene oxide
0
epoxidemetabolite00low000000
fumonisin b1
0
diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite		00low000000
olivetolic acid
0
benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite00low000000
hirsutine, (16e,20beta)-isomer
0
alkaloidmetabolite00low000000
Ganodermanontriol
0
triterpenoidmetabolite00low000000
dieckol
0
aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger		00low000000
glycylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
tamoxifen n-oxide
0
aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite		00low000000
7-deacetylgedunin
0
cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid		anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite		00low000000
galactose-6-phosphate
0
D-galactose 6-phosphatemetabolite00low000000
nicotine n-glucuronide
0
iminium betaine;
N-glycosylpyridine		metabolite00low000000
isorhyncophylline
0
indolizinesmetabolite00low000000
cysteinylproline
0
dipeptidemetabolite00low000000
glycyllysine
0
dipeptidemetabolite00low000000
methionyltryptophan
0
dipeptidemetabolite00low000000
ascorbigen
0
indolyl carbohydratemetabolite00low000000
pimeloyl-coenzyme a
0
omega-carboxyacyl-CoAmetabolite00low000000
1-salicylate glucuronide
0
benzoic acids;
beta-D-glucosiduronic acid		metabolite00low000000
isoschaftoside
0
C-glycosyl compound;
trihydroxyflavone		metabolite00low000000
croomine
0
alkaloidmetabolite00low000000
3-hydroxyflavanone
0
3'-hydroxyflavanones;
monohydroxyflavanone		metabolite00low000000
ungeremine
0
organic molecular entitymetabolite00low000000
seryl-proline
0
dipeptidemetabolite00low000000
4-hydroxy-5-methyl-3(2h)-furanone
0
cyclic ketone;
enol;
furans		metabolite00low000000
annomontine
0
alkaloid;
aminopyrimidine;
beta-carbolines		antiparasitic agent;
metabolite		00low000000
8-hydroxymanzamine a
0
alkaloid;
beta-carbolines;
isoquinolines		anti-HSV-2 agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
metabolite		00low000000
ginkgetin
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		00low000000
calceolarioside b
0
hydroxycinnamic acidmetabolite00low000000
eupatilin
0
dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite		00low000000
quercetin 3-o-glucuronide
0
beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite		00low000000
australifungin
0
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		00low000000
catechin gallate
0
flavans;
gallate ester;
polyphenol		metabolite00low000000
sterigmatocystin
0
sterigmatocystinsmetabolite00low000000
3,7-dimethoxy-5,3',4'-trihydroxyflavone
0
dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
apigenin
0
trihydroxyflavoneantineoplastic agent;
metabolite		00low000000
7,3'-dihydroxy-4'-methoxyisoflavone
0
4'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite		00low000000
calcitriol
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		00low000000
feruloyltyramine
0
tyraminesmetabolite00low000000
luteolin-7-glucuronide
0
glycosyloxyflavone;
luteolin O-glucuronoside;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
chrysoeriol
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite		00low000000
quercetin 3-o-methyl ether
0
monomethoxyflavone;
tetrahydroxyflavone		antimicrobial agent;
metabolite		00low000000
dexmedetomidine
0
trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
metabolite		00low000000
apigetrin
0
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
rutin
0
disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
6-ketoprostaglandin e1
0
prostaglandins Emetabolite;
platelet aggregation inhibitor		00low000000
lipoxin a4
0
hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite		00low000000
harmine
0
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		00low000000
naringenin chalcone
0
chalcones;
polyphenol		anti-allergic agent;
anti-inflammatory agent;
metabolite		00low000000
cornexistin
0
cyclic dicarboxylic anhydride;
organic heterobicyclic compound;
secondary alpha-hydroxy ketone		herbicide;
metabolite		00low000000
isobavachalcone
0
chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor		00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
Rhynchophylline
0
indolizinesmetabolite00low000000
esculin
0
beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite		00low000000
mammeisin
0
neoflavonoidmetabolite00low000000
ostruthin
0
terpene lactonemetabolite00low000000
costunolide
0
germacranolide;
heterobicyclic compound		anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite		00low000000
caryophyllene
0
beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug		00low000000
phaseic acid
0
alpha,beta-unsaturated monocarboxylic acid;
apo carotenoid sesquiterpenoid		metabolite00low000000
agathisflavone
0
biaryl;
biflavonoid;
hydroxyflavone		antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite		00low000000
cupressuflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger		00low000000
fisetin
0
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		00low000000
genkwanin
0
dihydroxyflavone;
monomethoxyflavone		metabolite00low000000
bellidifolin
0
polyphenol;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
metabolite		00low000000
demethylbellidifolin
0
tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
euxanthone
0
phenols;
xanthones		metabolite;
plant metabolite		00low000000
3-methylquercetin
0
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		00low000000
norswertianolin
0
beta-D-glucoside;
xanthones		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
swerchirin
0
aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite		00low000000
isoscutellarein
0
tetrahydroxyflavonemetabolite00low000000
norwogonin
0
trihydroxyflavoneantioxidant;
metabolite		00low000000
orientin
0
3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
patuletin
0
flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite		00low000000
rhamnetin
0
monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
robustaflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite		00low000000
scutellarein
0
tetrahydroxyflavonemetabolite00low000000
tamarixetin
0
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
tricetin
0
pentahydroxyflavoneantineoplastic agent;
metabolite		00low000000
tricin
0
3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
astringin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		00low000000
polydatin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator		00low000000
epsilon-viniferin
0
1-benzofurans;
polyphenol;
stilbenoid		metabolite00low000000
irilone
0
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle		antineoplastic agent;
immunomodulator;
metabolite		00low000000
caffeic acid phenethyl ester
0
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		00low000000
licoisoflavone a
0
7-hydroxyisoflavonesmetabolite00low000000
prunetin
0
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		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
syringetin
0
3',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor		00low000000
10-deoxymethynolide
0
macrolidemetabolite00low000000
4',7-dihydroxyflavone
0
dihydroxyflavonemetabolite00low000000
rhoifolin
0
dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite00low000000
veronicastroside
0
disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone		antibacterial agent;
metabolite		00low000000
quercimeritrin
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
n,n-dimethylsphingenine
0
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		00low000000
4-hydroxyestradiol
0
4-hydroxy steroidmetabolite00low000000
9-hydroxy-10,12-octadecadienoic acid
0
HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite		00low000000
9-oxo-10,12-octadecadienoic acid
0
enone;
oxooctadecadienoic acid		metabolite00low000000
13-oxo-9,11-octadecadienoic acid
0
13-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite00low000000
13,14-dihydro-15-ketoprostaglandin d2
0
prostaglandins Dmetabolite00low000000
15-keto-13,14-dihydroprostaglandin f2alpha
0
ketone;
prostaglandins Falpha		metabolite00low000000
2,3-dinor-6-ketoprostaglandin f1alpha
0
4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite00low000000
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer
0
3beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite		00low000000
calcifediol
0
D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical		00low000000
cyclosporine
0
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		00low000000
oleyl alcohol
0
fatty alcohol 18:1;
long-chain primary fatty alcohol		metabolite;
nonionic surfactant		00low000000
fortimicin a
0
amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound		antibacterial agent;
metabolite		00low000000
3',4',7-trihydroxyisoflavone
0
7-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite		00low000000
6,7,4'-trihydroxyisoflavone
0
7-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist		00low000000
15-deoxy-delta(12,14)-prostaglandin j2
0
prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite		00low000000
cytochalasin b
0
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		00low000000
ciguatoxins
0
ciguatoxinmetabolite00low000000
12-hydroxy-5,8,10-heptadecatrienoic acid
0
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid		metabolite00low000000
bisdemethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite		00low000000
clausine e
0
carbazolesmetabolite00low000000
ethyl caffeate
0
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
heptaphylline
0
carbazolesmetabolite00low000000
pellitorine
0
fatty amidemetabolite00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
isorhamnetin-3-o-galactoside
0
beta-D-galactoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
isorhamnetin 3-o-glucoside
0
beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
kaempferol-3-o-rutinoside
0
disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
ligustilide
0
butenolidemetabolite00low000000
7,4'-dihydroxy-3'-methoxyisoflavone
0
7-hydroxyisoflavones;
methoxyisoflavone		antiplasmodial drug;
metabolite		00low000000
sappanchalcone
0
catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite		00low000000
methyl brevifolincarboxylate
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		00low000000
3-deoxysappanchalcone
0
chalcones;
monomethoxybenzene;
phenols		metabolite00low000000
nostocarboline
0
alkaloid;
beta-carbolines;
organic cation;
organochlorine compound		antimalarial;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
ergosterol-5,8-peroxide
0
3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug		00low000000
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
0
hydroxycinnamic acidmetabolite00low000000
macluraxanthone b
0
phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite		00low000000
flavokawain b
0
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
alternariol
0
benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin		00low000000
cis-3-hexenyl acetate
0
acetate ester;
olefinic compound		metabolite00low000000
pipercallosidine
0
alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite		00low000000
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide
0
hydroxycinnamic acidmetabolite00low000000
7-hydroxyisoflavone
0
7-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite		00low000000
flazin
0
harmala alkaloidmetabolite00low000000
11-hydroxynoracronycine
0
acridinesmetabolite00low000000
jaceosidin
0
dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
5,7,3'-trihydroxy-3,4'-dimethoxyflavone
0
dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
salutaridine
0
morphinane alkaloidanti-HBV agent;
metabolite		00low000000
cytochalasin e
0
cytochalasan alkaloidmetabolite00low000000
artocarpin lectin
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite		00low000000
fumarates
0
butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite		00low000000
bleomycin
0
bleomycinantineoplastic agent;
metabolite		00low000000
1,7-dihydroxy-4-methoxyxanthone
0
aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite		00low000000
demethoxycurcumin
0
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
bergamottin
0
furanocoumarinmetabolite00low000000
alanyl-alanyl-alanine
0
tripeptidemetabolite00low000000
24-ethyl-4-cholesten-3-one
0
C29-steroid;
steroid		metabolite00low000000
myricetin 3-o-glucuronide
0
monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone		metabolite00low000000
phenylalanylalanine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
alpinumisoflavone
0
isoflavanonesmetabolite00low000000
alpha-aspartylalanine
0
dipeptidemetabolite00low000000
alanyltyrosine
0
dipeptidemetabolite00low000000
arglabin
0
epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite		00low000000
ap 10
0
diterpene lactonemetabolite00low000000
quercetin 7-rhamnoside
0
alpha-L-rhamnoside;
flavonols;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		metabolite00low000000
albonoursin
0
2,5-diketopiperazinesmetabolite00low000000
oroidin
0
pyrroles;
secondary carboxamide		metabolite00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
apratoxin a
0
1,3-thiazoles;
apratoxin		antineoplastic agent;
metabolite		00low000000
(-)-catechin-3-O-gallate
0
flavans;
gallate ester;
polyphenol		metabolite00low000000
aspartyllysine
0
dipeptidemetabolite00low000000
arginyllysine
0
dipeptidemetabolite00low000000
hygromycin a
0
hydroxycinnamic acidmetabolite00low000000
latrunculin b
0
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		00low000000
falcarindiol
0
organic molecular entitymetabolite00low000000
dehydroergosterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		biomarker;
metabolite		00low000000
n-oleoylglycine
0
fatty amide;
N-acylglycine 18:1		metabolite00low000000
rhizoxin
0
1,3-oxazoles;
epoxide;
macrolide antibiotic		antimitotic;
antineoplastic agent;
metabolite		00low000000
manoalide
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		00low000000
concanamycin a
0
carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite		00low000000
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
0
enoate ester;
methyl ester;
monocarboxylic acid amide		metabolite00low000000
thunberginol f
0
catechols;
gamma-lactone;
isobenzofuranone		metabolite;
plant metabolite		00low000000
pyracrenic acid
0
triterpenoidmetabolite00low000000
eicosa-11,14-dienoic acid, (z,z)-isomer
0
icosadienoic acidmetabolite00low000000
yuanhuadine
0
diterpenoidmetabolite00low000000
tiglylglycine
0
N-acylglycinemetabolite00low000000
rhodiocyanoside a
0
aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite		00low000000
(2E,4E)-N-isobutyl-2,4-dodecadienamide
0
fatty amidemetabolite00low000000
mycothiazole
0
thiazolesmetabolite00low000000
13-oxo-9,11-octadecadienoic acid
0
13-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite		00low000000
linderalactone
0
butenolidemetabolite00low000000
pros-methylimidazoleacetic acid
0
imidazolyl carboxylic acidmetabolite00low000000
cellobionic acid
0
carbohydrate acid;
disaccharide		metabolite00low000000
pseudopteroxazole
0
tetralinsmetabolite00low000000
sophoraflavanone a
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
panduratin a
0
diarylheptanoidmetabolite00low000000
stigmasterol 3-o-beta-d-glucopyranoside
0
beta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin		metabolite00low000000
17-hydroxyjolkinolide b
0
diterpene lactonemetabolite00low000000
sq-23377
0
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		00low000000
corosolic acid
0
triterpenoidmetabolite00low000000
cyclo(prolyl-valyl)
0
piperazinonemetabolite00low000000
phenylalanylglycine
0
dipeptidemetabolite00low000000
leucyl-phenylalanine
0
dipeptidemetabolite00low000000
glutamylalanine
0
dipeptidemetabolite00low000000
glutaminyl-glycine
0
dipeptidemetabolite00low000000
methionylglycine
0
dipeptidemetabolite00low000000
valylleucine
0
dipeptidemetabolite00low000000
phenylalanyl-valine
0
dipeptidemetabolite00low000000
cyclo(glycyltryptophyl)
0
indolesmetabolite00low000000
alanylglycine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
valyltyrosine
0
dipeptidemetabolite00low000000
alpha-glutamyltryptophan
0
dipeptidemetabolite00low000000
lysylglutamic acid
0
dipeptidemetabolite00low000000
methionylglutamic acid
0
dipeptidemetabolite00low000000
seryl-histidine
0
dipeptidemetabolite00low000000
arginyl-glutamine
0
dipeptidemetabolite00low000000
phenylalanylproline
0
dipeptidemetabolite00low000000
lysylglycine
0
dipeptidemetabolite00low000000
glycylhistidine
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
kopsinine
0
indole alkaloidmetabolite00low000000
cyclo(leucyl-phenylalanyl)
0
2,5-diketopiperazinesmetabolite00low000000
prolylisoleucine
0
dipeptidemetabolite00low000000
phenylalanyl-valine
0
dipeptidemetabolite00low000000
isoleucyl-tyrosine
0
dipeptidemetabolite00low000000
prolyl-serine
0
dipeptidemetabolite00low000000
19-norandrosterone
0
17-oxo steroidmetabolite00low000000
s-allylcysteine
0
L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine		antineoplastic agent;
metabolite		00low000000
oleandrigenin
0
14beta-hydroxy steroid;
3beta-hydroxy steroid;
steroid ester		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
valyl-prolyl-proline
0
tripeptidemetabolite00low000000
prolylvaline
0
dipeptidemetabolite00low000000
palbinone
0
16-oxo steroidmetabolite00low000000
pseurotin
0
azaspiro compound;
lactam;
oxaspiro compound		metabolite00low000000
gambogic acid
0
pyranoxanthonesmetabolite00low000000
xenovulene a
0
cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite		00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
LL-Z1640-1
0
macrolide;
resorcinols		metabolite00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
n-acetylcarnosine
0
dipeptidemetabolite00low000000
cholest-5-en-3-one
0
3-oxo-Delta(5)-steroid;
cholestanoid		metabolite00low000000
kaempferol 3-O-beta-L-glucopyranoside
0
beta-L-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
ubiquinol
0
polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite		00low000000
landomycin a
0
oligosaccharidemetabolite00low000000
ancistroealaine a
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug		00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
actein
0
triterpenoidmetabolite00low000000
araloside a
0
triterpenoid saponinmetabolite00low000000
ageladine a
0
alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite		00low000000
corynoxine b
0
indolizinesmetabolite00low000000
kaempferol 7-o-glucoside
0
beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
delphinidin 3-sambubioside
0
anthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite		00low000000
nodosin
0
delta-lactonemetabolite00low000000
protylonolide
0
diol;
enone;
macrolide		metabolite00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
nymphaeol c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
thonningianin a
0
tanninmetabolite00low000000
cephalostatin i
0
oxo steroidmetabolite00low000000
papyriflavonol a
0
3'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone		EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite		00low000000
lactonamycin
0
gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite		00low000000
myrsinoic acid b
0
1-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite		00low000000
betulone
0
triterpenoidmetabolite00low000000
eckstolonol
0
organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger		00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
gitaloxin
0
cardenolide glycosidemetabolite00low000000
paeonilide
0
benzoate estermetabolite00low000000
dihydroxanthohumol
0
aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
corynoxine
0
indolizinesmetabolite00low000000
7-phloroeckol
0
aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite		00low000000
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside
0
beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite		00low000000
Sphaeropsidin C
0
tricyclic diterpenoidmetabolite00low000000
kelampayoside a
0
glycosidemetabolite00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
2,3-dihydro-3beta-methoxy withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite		00low000000
nigranoic acid
0
dicarboxylic acid;
tetracyclic triterpenoid		antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite		00low000000
esculeoside a
0
azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin		antineoplastic agent;
metabolite		00low000000
aerothionin
0
isoxazolesmetabolite00low000000
artemisic acid
0
carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite00low000000
26-deoxyactein
0
triterpenoidmetabolite00low000000
5-formylcytosine
0
aminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone		metabolite00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
Lyngbic acid
0
long-chain fatty acidmetabolite00low000000
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one
0
polyphenol;
xanthones		anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
procyanidin b1
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite		00low000000
cyclo(tyrosyl-tyrosyl)
0
cyclo(tyrosyl-tyrosyl)metabolite00low000000
spiculoic acid a
0
carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite		00low000000
myrocin a
0
tertiary alcoholmetabolite00low000000
3'-o-methylepicatechin
0
catechinmetabolite00low000000
episilvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
protopanaxatriol
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
sapogenin;
tetracyclic triterpenoid		metabolite00low000000
laurinterol
0
organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
Pseudopterosin G-J aglycone
0
diterpenoidmetabolite00low000000
ceratamine a
0
alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite		00low000000
liphagal
0
aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite		00low000000
pulsatilla saponin d
0
triterpenoidmetabolite00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
neotuberostemonine
0
alkaloidmetabolite00low000000
drymaritin
0
enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite		00low000000
lyoniresinol
0
dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins		antineoplastic agent;
metabolite		00low000000
silvestrol
0
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite		00low000000
ginsenoside ro
0
triterpenoid saponinmetabolite00low000000
diosgenin glucoside
0
hexacyclic triterpenoid;
monosaccharide derivative;
spiroketal;
sterol 3-beta-D-glucoside		metabolite00low000000
pyripyropene a
0
organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite		00low000000
3-epioleanolic acid
0
triterpenoidmetabolite00low000000
leucylproline
0
dipeptide zwitterion;
dipeptide		metabolite00low000000
R-(-)-actinodaphnine
0
aporphine alkaloidmetabolite00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
methylamphotericin b
0
macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite		00low000000
2'-methoxykurarinone
0
4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone		antineoplastic agent;
metabolite		00low000000
verproside
0
glycosidemetabolite00low000000
verminoside
0
hydroxycinnamic acidmetabolite00low000000
minecoside
0
hydroxycinnamic acidmetabolite00low000000
(R)-(+)-6',7'-dihydroxybergamottin
0
furanocoumarinmetabolite00low000000
lapidilectine b
0
indolyl carboxylic acidmetabolite00low000000
batzelladine a
0
alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite		00low000000
alloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
longipinene
0
alpha-longipinenemetabolite00low000000
parkeol
0
3beta-hydroxy-4,4-dimethylsteroid;
3beta-sterol;
tetracyclic triterpenoid		metabolite00low000000
rutundic acid
0
triterpenoidmetabolite00low000000
a-factor (streptomyces)
0
butan-4-olide;
primary alcohol		metabolite00low000000
taraxasteryl acetate
0
triterpenoidmetabolite00low000000
chikusetsu saponin iva
0
triterpenoid saponinmetabolite00low000000
xestoaminol c
0
amino alcohol;
sphingoid		metabolite00low000000
malyngamide A
0
dicarboximidemetabolite00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
friedelane
0
triterpenemetabolite00low000000
shamixanthone
0
cyclic ketone;
phenols;
pyranoxanthene		metabolite00low000000
17,18-epoxy-5,8,11,14-eicosatetraenoic acid
0
EpETEmetabolite00low000000
chaetominine
0
indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite00low000000
schweinfurthin g
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		antineoplastic agent;
metabolite		00low000000
salmon calcitonin
0
heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite		00low000000
complestatin
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		00low000000
neuroprotectin a
0
cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol		HIV-1 integrase inhibitor;
metabolite		00low000000
alx-0600
0
polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent		00low000000
schweinfurthin f
0
cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid		metabolite00low000000
antrocamphin a
0
methoxybenzenesanti-inflammatory agent;
metabolite		00low000000
respirantin
0
benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
streptobiosamine
0
amino disaccharidemetabolite00low000000
interiotherin b
0
aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite		00low000000
succinyladenosine
0
adenosines;
amino dicarboxylic acid;
L-aspartic acid derivative		metabolite00low000000
6-tuliposide a
0
6-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite		00low000000
glycochenodeoxycholate-3-sulfate
0
7alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite00low000000
wewakazole
0
cyclic peptidemetabolite00low000000
spongia-13(16),14-dien-19-oic acid
0
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		00low000000
Icariside E4
0
benzofuransmetabolite00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
dihydroagarofuran
0
bridged compound;
cyclic ether;
eudesmane sesquiterpenoid;
organic heterotricyclic compound		metabolite00low000000
23-epi-26-deoxyactein
0
triterpenoidmetabolite00low000000
23-hydroxybetulinic acid
0
triterpenoidmetabolite00low000000
(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
0
diterpenoidmetabolite00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
2-acetamidoglucal
0
acetamides;
glycal derivative		metabolite00low000000
diorcinol
0
aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite		00low000000
caribenol a
0
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite		00low000000
halisulfate 1
0
organic molecular entitymetabolite00low000000
6-O-feruloylcatalpol
0
hydroxycinnamic acidmetabolite00low000000
grassypeptolide
0
cyclodepsipeptide;
macrocycle		antineoplastic agent;
metabolite		00low000000
essramycin
0
triazolopyrimidinesmetabolite00low000000
ainsliadimer a
0
sesquiterpene lactone;
spiro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
salvileucalin b
0
bridged compound;
diterpenoid;
furans;
gamma-lactone		antineoplastic agent;
metabolite		00low000000
ciliatamide a
0
caprolactams;
lipopeptide		antileishmanial agent;
metabolite		00low000000
etnangien
0
hydroxy monocarboxylic acid;
macrolide antibiotic		antibacterial agent;
metabolite		00low000000
latrunculol a
0
macrolidemetabolite00low000000
N-trans-sinapoyltyramine
0
hydroxycinnamic acidmetabolite00low000000
lycojapodine a
0
alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
epi-maslinic acid
0
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
metabolite		00low000000
eoxin c4
0
eoxin;
leukotriene		metabolite00low000000
brartemicin
0
benzoate ester;
glycosyl glycoside derivative;
resorcinols		antimicrobial agent;
metabolite		00low000000
Majusculamide AB
0
amino acid amidemetabolite00low000000
7,8-dihydroxyflavanone
0
dihydroxyflavanoneantineoplastic agent;
metabolite		00low000000
antcin a
0
ergostanoidmetabolite00low000000
integric acid
0
carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite		00low000000
vanilloloside
0
glycosidemetabolite00low000000
2,3-dihydro-3beta-O-sulfate withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide		antineoplastic agent;
metabolite;
plant metabolite		00low000000
dicranin
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		00low000000
leachianone a
0
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antimalarial;
antineoplastic agent;
metabolite		00low000000
hordatine a
0
aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite		00low000000
englerin a
0
cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite		00low000000
monanchocidin
0
organic molecular entitymetabolite00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
sphaeropsidin a
0
gamma-lactonemetabolite00low000000
gardenoside
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite00low000000
landomycin d
0
anthraquinonemetabolite00low000000
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite		00low000000
antcin k
0
bile acidmetabolite00low000000
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
0
11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist		00low000000
shizukaol B
0
triterpenoidmetabolite00low000000
shizukaol f
0
triterpenoidmetabolite00low000000
calicheamicin gamma(1)i
0
calicheamicin;
enediyne antibiotic;
organoiodine compound		antineoplastic agent;
metabolite		00low000000
staphyloxanthin
0
apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor		00low000000
sm 1 peptide
0
acetate ester;
ergot alkaloid		metabolite00low000000
mycocyclosin
0
2,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
vinylamycin
0
cyclodepsipeptide;
macrocycle;
primary alcohol		antibacterial agent;
antimicrobial agent;
metabolite		00low000000
promegestone
0
terpene lactonemetabolite00low000000
lancifodilactone g
0
cyclic ether;
diol;
enol;
gamma-lactone;
oxaspiro compound;
triterpenoid		anti-HIV agent;
metabolite		00low000000
rediocide a
0
diterpenoid;
epoxide;
ortho ester;
terpene lactone		insecticide;
metabolite		00low000000
lasiokaurin
0
kaurane diterpenoidmetabolite00low000000
longikaurin a
0
kaurane diterpenoidmetabolite00low000000
ponicidin
0
dioxanesmetabolite00low000000
(Z)-6,6',7,3'a-Diligustilide
0
butenolidemetabolite00low000000
suvanine
0
organic molecular entitymetabolite00low000000
shizukaol d
0
triterpenoidmetabolite00low000000
thailandepsin a
0
cyclodepsipeptidemetabolite00low000000
nordidemnin b
0
didemninmetabolite00low000000
4-formylaminooxyvinylglycine
0
non-proteinogenic alpha-amino acidmetabolite00low000000
platycoside e
0
triterpenoid saponinmetabolite00low000000
leuconoxine
0
alkaloidmetabolite00low000000
epidermin
0
macrocycle;
type A lantibiotic		antibacterial agent;
metabolite		00low000000
surfactin A
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant		00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
avenacoside b
0
beta-D-glucoside;
hexacyclic triterpenoid;
spiroketal;
steroid saponin;
tetrasaccharide derivative		metabolite00low000000
3-methylglutarylcarnitine
0
O-methylglutarylcarnitinemetabolite00low000000
pivaloylcarnitine
0
C5-acylcarnitinemetabolite00low000000
levoleucovorin
0
5-formyltetrahydrofolic acidantineoplastic agent;
metabolite		00low000000
7,8-dihydroneopterin
0
dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
guanosine monophosphate
0
guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine
0
methyl ketone;
pyrimidodiazepine		metabolite00low000000
dyspropterin
0
biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite		00low000000
2'-o-methylguanosine
0
methylguanosinemetabolite00low000000
allopurinol riboside
0
nucleoside analoguemetabolite00low000000
norclozapine
0
dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist		00low000000
7-methylguanosine
0
methylguanosine;
organic cation		metabolite00low000000
3'-o-methylguanosine
0
methylguanosinemetabolite00low000000
primapterin
0
biopterinsmetabolite00low000000
7-methylinosine
0
inosines;
organic cation		metabolite00low000000
marineosin a
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
marineosin b
0
azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles		antineoplastic agent;
metabolite		00low000000
succinylcholine
0
quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent		00low000000
vecuronium bromide
0
organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist		00low000000
vecuronium
0
acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist		00low000000
rocuronium
0
3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent		00low000000
rocuronium bromide
0
organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent		00low000000
domoic acid
0
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin		00low000000
paeoniflorigenone
0
alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid		neuromuscular agent;
plant metabolite		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
benzoylaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite		00low000000
alprenolol
0
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
bisoprolol
0
secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
carteolol
0
quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		00low000000
carvedilol
0
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		00low000000
metoprolol
0
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
metipranolol
0
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
colforsin
0
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		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
beraprost
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		00low000000
praliciguat
0
aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
ethyl lactate
0
ethyl ester;
lactate ester;
secondary alcohol		metabolite00low000000
2-phenylethyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
benzyl acetate
0
acetate ester;
benzyl ester		metabolite00low000000
ethyl acetate
0
acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite		00low000000
amyl acetate
0
acetate estermetabolite00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
butyl acetate
0
acetate estermetabolite00low000000
isoamyl acetate
0
acetate estermetabolite;
Saccharomyces cerevisiae metabolite		00low000000
paclitaxel
0
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		00low000000
pravastatin
0
3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic		00low000000
zaluzanin C
0
gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
asperuloside
0
acetate ester;
beta-D-glucoside;
gamma-lactone;
iridoid monoterpenoid;
monosaccharide derivative		metabolite00low000000
taraxerol
0
pentacyclic triterpenoid;
secondary alcohol		metabolite00low000000
4-hydroxydebrisoquin
0
carboxamidine;
isoquinolines;
secondary alcohol		metabolite00low000000
versiconal hemiacetal acetate
0
acetate ester;
anthrafuran;
lactol;
palmitoyl amino acid;
polyphenol		metabolite00low000000
taraxasterol
0
pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory agent;
metabolite		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
taxusin
0
acetate ester;
carbotricyclic compound;
taxane diterpenoid		metabolite00low000000
corynoline
0
benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
hippeastrine
0
delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
decursinol
0
cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol		analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
16beta,17-dihydroxy-ent-kaurane-19-oic acid
0
bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite		00low000000
komaroviquinone
0
bridged compound;
lactol;
p-quinones;
tetracyclic diterpenoid		metabolite;
trypanocidal drug		00low000000
australifungin
0
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
2,3-dinor-6-ketoprostaglandin f1alpha
0
4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol		metabolite00low000000
andrographolide
0
carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite		00low000000
cis-3-hexenyl acetate
0
acetate ester;
olefinic compound		metabolite00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
cerberin
0
acetate ester;
cardenolide glycoside;
monosaccharide derivative		antineoplastic agent;
metabolite		00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
manassantin b
0
benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
2,3-dihydro-3beta-methoxy withaferin A
0
27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		metabolite;
plant metabolite		00low000000
migrastatin
0
ether;
macrolide antibiotic;
piperidones;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
bielschowskysin
0
acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound		antimalarial;
antineoplastic agent;
metabolite		00low000000
myrocin a
0
tertiary alcoholmetabolite00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
cytotrienin a
0
cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
simalikalactone D
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol		antimalarial;
antineoplastic agent;
antiviral agent;
metabolite		00low000000
spongia-13(16),14-dien-19-oic acid
0
cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite		00low000000
lucidenic acid n
0
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid		antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
caribenol a
0
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite		00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
gardenoside
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite00low000000
sm 1 peptide
0
acetate ester;
ergot alkaloid		metabolite00low000000
myriaporone 3
0
beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol		antineoplastic agent;
metabolite		00low000000
vecuronium
0
acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist		00low000000
rocuronium
0
3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		1986198638.0low010000
diazoxide
1
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		1984198440.0low010000
isoproterenol
1
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		1986198638.0low010000
labetalol
1
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		1984198440.0low010000
metoprolol
1
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		2006200618.0low000100
minoxidil
1
dialkylarylamine;
tertiary amino compound		1984198440.0low010000
nifedipine
2
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		1984198639.0low020000
pirenzepine
1
pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist		1991199133.0low001000
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		1984198440.0low010000
procaine
1
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		1964196460.0low010000
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		1964196460.0low010000
propranolol
2
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		1976197747.5low020000
succinylcholine
1
quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent		1964196460.0low010000
tolazoline
1
imidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent		1964196460.0low010000
serine
2
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2001200322.0low000200
edetic acid
1
ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector		1994199430.0low001000
tyrosine
1
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		2003200321.0low000100
phenylalanine
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		2003200321.0low000100
strophanthidin
1
14beta-hydroxy steroid;
19-oxo steroid;
3beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolides;
steroid aldehyde		1986198638.0low010000
asparagine
1
amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2003200321.0low000100
isoleucine
1
aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		2001200123.0low000100
phenothiazine
1
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		1964196460.0low010000
furaldehyde
1
aldehyde;
furans		Maillard reaction product;
metabolite		2014201410.0low000010
allethrins
1
cyclopropanecarboxylate esterpyrethroid ester insecticide1981198143.0low010000
mercury
1
elemental mercury;
zinc group element atom		neurotoxin2014201410.0low000010
cadmium
1
cadmium molecular entity;
zinc group element atom		2014201410.0low000010
diltiazem
1
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		1986198638.0low010000
permethrin
1
cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide		201520159.0low000010
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		1984198440.0low010000
fluvalinate
1
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		201520159.0low000010
glucose, (beta-d)-isomer
1
D-glucopyranoseepitope;
mouse metabolite		201920195.0low000010
tetrandrine
1
bisbenzylisoquinoline alkaloid;
isoquinolines		1984198440.0low010000
tetramethrin
1
cyclopropanecarboxylate ester;
maleimides;
phthalimide insecticide		pyrethroid ester insecticide1988198836.0low010000
ledol
1
201520159.0medium000010
cyfluthrin
1
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide		201520159.0low000010
afdx 116
1
benzodiazepine1991199133.0low001000
atropine
6
1991202218.7low002211
5-hydroxymethylfurfural
1
arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product		2014201410.0low000010
protoverin
2
1957198354.0low020000
bradykinin
1
oligopeptidehuman blood serum metabolite;
vasodilator agent		1964196460.0low010000
ouabain
4
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		1984199437.2low031000
monensin
3
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		1984199436.0low021000
ryanodine
1
1986198638.0low010000
sesquiterpenes
1
201520159.0low000010
lead
1
carbon group element atom;
elemental lead;
metal atom		neurotoxin2014201410.0low000010
rubidium
1
alkali metal atom1977197747.0low010000
arsenic
1
metalloid atom;
pnictogen		micronutrient2014201410.0low000010
veratrine
3
alkaloid1957198057.0low030000
3,3'-dioctadecylindocarbocyanine
1
Cy5 dye;
indolium ion		fluorochrome1990199034.0low001000
carbocyanines
2
cyanine dye;
organic iodide salt		fluorochrome1990199034.0low002000
tetrodotoxin
12
azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker		1974200039.6medium093000
taxine
1
2010201014.0low000100
grayanotoxin iii
11
1980201820.7high022250
palytoxin
1
polyoltoxin1985198539.0low010000
veratridine
6
1964199740.7low042000
dihydroouabain
1
1994199430.0low001000
tannins
1
1986198638.0low010000
sodium salicylate
1
organic molecular entity1964196460.0low010000
saxitoxin
2
alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine		cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin		1981198242.5low020000
pyrethrins
2
1988201522.5low010010
crotamine
1
1983198341.0low010000
aconitine
3
1982201526.0low011010
grayanotoxin ii
5
tertiary alcohol1980201925.8high020210
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
A-V Dissociation0
1
2005200519.0low000100
Absence Seizure0
1
2008200816.0low000100
Acute Disease0
1
1996199628.0low001000
Angina Pectoris0
1
2008200816.0low000100
Angor Pectoris0
1
2008200816.0low000100
Arrhythmia0
3
1957198351.7low030000
Arrhythmias, Cardiac0
3
1957198351.7low030000
Ataxia0
1
1983198341.0low010000
Atrial Fibrillation0
2
2012201212.0low000020
Atrioventricular Block0
1
2012201212.0low000010
Atrioventricular Conduction Block0
1
2012201212.0low000010
Auricular Fibrillation0
2
2012201212.0low000020
Benign Neoplasms0
1
201520159.0low000010
Blood Pressure, High0
5
1981198541.0low050000
Blood Pressure, Low0
12
1962201723.3low031440
Bradyarrhythmia0
14
1983202219.8low023441
Bradycardia0
14
1983202219.8low023441
Breathlessness0
1
2014201410.0low000010
Caprine Diseases0
3
1992201421.7low001110
Cardiac Diseases0
1
201620168.0low000010
Cardiac Sinus Arrest0
1
2014201410.0low000010
Cardiovascular Stroke0
1
2008200816.0low000100
Chromosome-Defective Micronuclei0
1
201820186.0low000010
Congenital Zika Syndrome0
1
202020204.0low000010
Consciousness, Loss of0
1
201520159.0low000010
Disease Models, Animal0
2
201820205.0low000020
Dizziness0
1
2012201212.0low000010
Dizzyness0
1
2012201212.0low000010
Drop Attack0
4
2006201414.5low000220
Dyspnea0
1
2014201410.0low000010
Erectile Dysfunction0
1
2009200915.0low000100
Femoral Fractures0
1
201820186.0low000010
Food Poisoning0
7
1993201518.4low002320
Gastric Ulcer0
1
2012201212.0low000010
Heart Diseases0
1
201620168.0low000010
Hypertension0
5
1981198541.0low050000
Hypotension0
12
1962201723.3low031440
Impotence0
1
2009200915.0low000100
Lethargy0
1
201820186.0low000010
Muscle Contraction0
3
1983199437.3low021000
Myocardial Infarction0
1
2008200816.0low000100
Neoplasms0
1
201520159.0low000010
Ovine Diseases0
2
1983199137.0low011000
Plant Poisoning0
9
1983201829.1low042120
Poisoning0
3
1992201716.3low001020
Pregnancy0
1
1990199034.0low001000
Respiration Disorders0
1
1991199133.0low001000
Seizures0
1
2008200816.0low000100
Sensitivity and Specificity0
1
2014201410.0low000010
Shock, Cardiogenic0
1
2008200816.0low000100
Stomach Ulcer0
1
2012201212.0low000010
Swine Diseases0
1
201820186.0low000010
Syncope0
4
2006201414.5low000220
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (2)

ArticleYear
Labrador tea--the aromatic beverage and spice: a review of origin, processing and safety.
Journal of the science of food and agriculture, , Volume: 95, Issue:8		2015
Developmental toxicity potential of grayanotoxin I in mice and chicks.
The Journal of toxicological sciences, , Volume: 15, Issue:4		1990

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019

Dosage (6)

ArticleYear
Treatment of pieris ingestion in goats with intravenous lipid emulsion.
Journal of medical toxicology : official journal of the American College of Medical Toxicology, , Volume: 10, Issue:4		2014
An analysis of the variations in potency of grayanotoxin analogs in modifying frog sodium channels of differing subtypes.
Molecular pharmacology, , Volume: 58, Issue:4		2000
Structure-activity relationship for D-ring derivatives of grayanotoxin in the squid giant axon.
The Journal of pharmacology and experimental therapeutics, , Volume: 265, Issue:3		1993
Contractions induced by grayanotoxin I in the guinea-pig vas deferens.
British journal of pharmacology, , Volume: 78, Issue:3		1983
Further evidence for the involvement of Na+ channels in the release of adrenal catecholamine: the effect of scorpion venom and grayanotoxin I.
British journal of pharmacology, , Volume: 72, Issue:1		1981
The effects of grayanotoxin I and alpha-dihydrograyanotoxin II on guinea-pig myocardium.
The Journal of pharmacology and experimental therapeutics, , Volume: 200, Issue:2		1977