Compounds > 4-hydroxybenzyl isothiocyanate
Page last updated: 2024-09-26

4-hydroxybenzyl isothiocyanate

Description

4-hydroxybenzyl isothiocyanate: found in white mustard; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID160611
CHEMBL ID3593946
CHEBI ID178135
SCHEMBL ID41756
MeSH IDM0098587

Synonyms (22)

Synonym
4-(isothiocyanatomethyl)phenol
CHEBI:178135
2086-86-4
4-hydroxybenzyl isothiocyanate
4-isothiocyanatomethyl-phenol
FT-0669414
AKOS006278917
318hj2034l ,
unii-318hj2034l
para-hydroxybenzyl isothiocyanate
phenol, 4-(isothiocyanatomethyl)-
SCHEMBL41756
4-hydroxybenzylisothiocyanate
CHEMBL3593946 ,
DTXSID20174974
hydroxybenzyl isothiocyanate, p-
p-hydroxybenzyl isothiocyanate
bdbm50104730
4-(isothiocyanatomethyl)phenol, 9ci
4-(isothiocyanatomethyl)-phenol
J-013690
PD121712

Drug Classes (1)

ClassDescription
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Transient receptor potential cation channel subfamily A member 1Homo sapiens (human)EC50 (µMol)20.00000.00033.166210.0000AID1235910
Transient receptor potential cation channel subfamily V member 1Homo sapiens (human)EC50 (µMol)170.00000.00051.06746.3096AID1235912
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (48)

Processvia Protein(s)Taxonomy
monoatomic ion transportTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
intracellular calcium ion homeostasisTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
cell surface receptor signaling pathwayTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
response to coldTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
response to xenobiotic stimulusTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
response to organic substanceTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
response to organic cyclic compoundTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
sensory perception of painTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
calcium-mediated signalingTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
response to painTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
thermoceptionTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
protein homotetramerizationTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
cellular response to hydrogen peroxideTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
calcium ion transmembrane transportTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
cellular response to organic substanceTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
thermoceptionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of transcription by RNA polymerase IITransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
fever generationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
microglial cell activationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
diet induced thermogenesisTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
peptide secretionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of systemic arterial blood pressureTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
lipid metabolic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cell surface receptor signaling pathwayTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
chemosensory behaviorTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of heart rateTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of mitochondrial membrane potentialTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
glutamate secretionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium-mediated signalingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to heatTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of apoptotic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
response to peptide hormoneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
positive regulation of nitric oxide biosynthetic processTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
behavioral response to painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
sensory perception of mechanical stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of temperature stimulus involved in thermoceptionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of painTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
protein homotetramerizationTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
excitatory postsynaptic potentialTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
smooth muscle contraction involved in micturitionTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium ion transmembrane transportTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to alkaloidTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to ATPTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to tumor necrosis factorTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to acidic pHTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to temperature stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
negative regulation of establishment of blood-brain barrierTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium ion import across plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
response to capsazepineTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
cellular response to nerve growth factor stimulusTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (17)

Processvia Protein(s)Taxonomy
calcium channel activityTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
channel activityTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
intracellularly gated calcium channel activityTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
identical protein bindingTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
temperature-gated cation channel activityTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
transmembrane signaling receptor activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
extracellular ligand-gated monoatomic ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
voltage-gated calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
protein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
calmodulin bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
ATP bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
intracellularly gated calcium channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
chloride channel regulator activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
phosphatidylinositol bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
identical protein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
metal ion bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
phosphoprotein bindingTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
temperature-gated ion channel activityTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (7)

Processvia Protein(s)Taxonomy
plasma membraneTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
stereocilium bundleTransient receptor potential cation channel subfamily A member 1Homo sapiens (human)
plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
external side of plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
dendritic spine membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
neuronal cell bodyTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
postsynaptic membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
plasma membraneTransient receptor potential cation channel subfamily V member 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (11)

Assay IDTitleYearJournalArticle
AID1235909Effect on Ca2+ response in TREx-HEK cells at 30 uM by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235910Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235917Agonist activity at mouse TRPM8 expressed in TREx-HEK cells at 300 uM by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235912Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235911Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay relative to 100 uM ITC2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235913Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay relative to 10 uM capsaicin2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235916Effect on Ca2+ response in TREx-HEK cells at 300 uM by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235914Activation of human TRPV1 expressed in TREx-HEK cells at 300 uM by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235915Activation of human TRPV1 expressed in TREx-HEK cells at 300 uM in presence of TRPV1 antagonist CPZ by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235907Activation of human TRPA1 expressed in TREx-HEK cells at 30 uM in presence of TRPA1 antagonist HC030031 by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
AID1235905Activation of human TRPA1 expressed in TREx-HEK cells at 30 uM by Fluo-4 AM dye-based Ca2+ imaging assay2015Journal of natural products, Aug-28, Volume: 78, Issue:8
Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (16.67)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
benzyl isothiocyanate[no description available]medium10benzenes;
isothiocyanate		antibacterial drug
allyl isothiocyanate[no description available]medium10alkenyl isothiocyanate;
isothiocyanate		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
phenethyl isothiocyanate[no description available]medium10isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
iberverin[no description available]medium10
erucin[no description available]medium10isothiocyanate
6-methylthiohexyl isothiocyanate[no description available]medium10isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent
hydrogen sulfide[no description available]medium10gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
caseins[no description available]medium10
4-hydroxybenzyl alcohol[no description available]medium20benzyl alcohols;
phenols		plant metabolite
maltodextrin[no description available]medium10
cyanates[no description available]medium10
4-hydroxybenzylcyanide[no description available]medium10hydroxynitrileplant metabolite
trifluoroacetic acid[no description available]medium10fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
choline[no description available]medium10cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
3-hydroxybenzyl alcohol[no description available]low00hydroxybenzyl alcohol;
phenols		metabolite
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
4-hydroxymandelic acid[no description available]low002-hydroxy carboxylic acid;
phenols		metabolite
4-vinylguaiacol[no description available]low00phenolsflavouring agent;
pheromone;
plant metabolite
4-hydroxyphenylglyoxylic acid[no description available]low00phenols
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
n-acetylserotonin[no description available]low00acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
4-hydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acid;
phenols		human metabolite
phenol[no description available]low00phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
vanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
8-hydroxy-2-(di-n-propylamino)tetralin[no description available]low00phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
vanilmandelic acid[no description available]low002-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
3-hydroxybenzylhydrazine[no description available]low00phenols
3-methoxytyramine[no description available]low00monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		biomarker;
human blood serum metabolite;
human urinary metabolite
4-hydroxybenzoic acid hydrazide[no description available]low00carbohydrazide;
phenols
3-hydroxy-4-methoxyphenethylamine[no description available]low00monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite
4-nonylphenol[no description available]low00phenolsenvironmental contaminant
acetaminophen[no description available]low00acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
albuterol[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
capsaicin[no description available]low00methoxybenzenes;
phenols
chloroxylenol[no description available]low00monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
nonivamide[no description available]low00capsaicinoid;
phenols		lachrymator
dienestrol[no description available]low00olefinic compound;
phenols		xenoestrogen
edrophonium[no description available]low00phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
etilefrine[no description available]low00phenols
fluorescite[no description available]low00benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
formoterol fumarate[no description available]low00formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
labetalol[no description available]low00benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
ly 171883[no description available]low00acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
mesalamine[no description available]low00amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
norfenefrine[no description available]low00phenols
ns 1619[no description available]low00(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener
oxymetazoline[no description available]low00carboxamidine;
imidazolines;
phenols		alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
oxyphenbutazone[no description available]low00phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]low00aminobenzoic acid;
phenols		antitubercular agent
phenolphthalein[no description available]low00phenols
phenolsulfonphthalein[no description available]low002,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
Phenyliodoundecynoate[no description available]low00benzoate ester;
phenols
propofol[no description available]low00phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
psilocin[no description available]low00hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
raloxifene[no description available]low001-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
resorcinol monoacetate[no description available]low00phenols;
phenyl acetates		antibacterial agent;
dermatologic drug
salicylamide[no description available]low00phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
salmeterol xinafoate[no description available]low00ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
salicylsalicylic acid[no description available]low00benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
sb 202190[no description available]low00imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfobromophthalein[no description available]low002-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
triclosan[no description available]low00aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
phentolamine[no description available]low00imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
estrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
17-desoxyestradiol[no description available]low003-hydroxy steroid;
phenolic steroid;
phenols		estrogen
n-methyl-4-aminophenol[no description available]low00phenolsallergen
phenylephrine[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
isoamyl salicylate[no description available]low00benzoate ester;
phenols
glycol salicylate[no description available]low00phenols;
primary alcohol;
salicylates
2-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols
2-isopropylphenol[no description available]low00phenols
2-sec-butylphenol[no description available]low00phenols
thymol[no description available]low00monoterpenoid;
phenols		volatile oil component
2-ethylphenol[no description available]low00phenols
pyrogallol 1,3-dimethyl ether[no description available]low00dimethoxybenzene;
phenols		plant metabolite
acetyleugenol[no description available]low00benzoate ester;
phenols
creosol[no description available]low00methoxybenzenes;
phenols
synephrine[no description available]low00ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
propylparaben[no description available]low00benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
3,4-dimethylphenol[no description available]low00phenols
2,5-xylenol[no description available]low00phenolsanimal metabolite;
volatile oil component
2,4-di-tert-butylphenol[no description available]low00alkylbenzene;
phenols		antioxidant;
bacterial metabolite;
marine metabolite
sulfosalicylic acid[no description available]low00arenesulfonic acid;
benzoic acids;
phenols		metabolite
butylphen[no description available]low00phenolsallergen
4-isopropylphenol[no description available]low00phenolsflavouring agent
2,4-dimethylphenol[no description available]low00aromatic fungicide;
phenols		disinfectant;
volatile oil component
3,5-xylenol[no description available]low00phenolsxenobiotic metabolite
oxyphenisatin acetate[no description available]low00benzoate ester;
phenols
bromphenol blue[no description available]low002,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone		acid-base indicator;
dye;
two-colour indicator
phenyl salicylate[no description available]low00benzoate ester;
phenols;
salicylates		ultraviolet filter
homosalate[no description available]low00benzoate ester;
phenols
benzyl salicylate[no description available]low00benzoate ester;
phenols
2-ethylhexyl salicylate[no description available]low00benzoate ester;
phenols
2'-hydroxyacetophenone[no description available]low00monohydroxyacetophenone;
phenols		flavouring agent
3-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
ethyl vanillin[no description available]low00aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent
p-cresyl acetate[no description available]low00benzoate ester;
phenols
3-hydroxyanisole[no description available]low00monomethoxybenzene;
phenols
mequinol[no description available]low00methoxybenzenes;
phenols		metabolite
ethamivan[no description available]low00methoxybenzenes;
phenols
4-hydroxyphenyllactic acid[no description available]low002-hydroxy carboxylic acid;
phenols		bacterial metabolite;
human metabolite
plumbagin[no description available]low00hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
topanol 354[no description available]low00methoxybenzenes;
phenols
carvacrol[no description available]low00botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
phloroglucinol dimethyl ether[no description available]low00methoxybenzenes;
phenols
4-hydroxyphenylethanol[no description available]low00phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
syringic acid[no description available]low00benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
methoxyhydroxyphenylglycol[no description available]low00methoxybenzenes;
phenols
paeonol[no description available]low00methoxybenzenes;
phenols		metabolite
2-hydroxyphenylacetic acid[no description available]low00hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite
2-hydroxyacetanilide[no description available]low00acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
3-ethylphenol[no description available]low00phenols
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
3-hydroxyacetanilide[no description available]low00acetamides;
phenols		non-narcotic analgesic
isovanillin[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
4-Ethoxyphenol[no description available]low00aromatic ether;
phenols
bulbocapnine[no description available]low00aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
2-propylphenol[no description available]low00phenolsflavouring agent;
plant metabolite
4-cyanophenol[no description available]low00phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
2-(2'-hydroxyphenyl)benzoxazole[no description available]low001,3-benzoxazoles;
phenols		geroprotector
ethyl n-alpha-acetyl-tyrosinate[no description available]low00acetamides;
ethyl ester;
L-tyrosine derivative;
phenols
fenadiazole[no description available]low001,3,4-oxadiazoles;
biaryl;
phenols		sedative
amylmetacresol[no description available]low00phenolsantiseptic drug
4-chloro-2-cresol[no description available]low00monochlorobenzenes;
phenols
antimycin a[no description available]low00benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
isobarbaloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
dinoterb[no description available]low00C-nitro compound;
phenols
4-n-Butylphenol[no description available]low00phenols
bromoxynil[no description available]low00dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
2-allylphenol[no description available]low00phenolsantifungal agrochemical
4-octylphenol[no description available]low00phenolsmetabolite;
surfactant;
xenoestrogen
3-methoxy-4-hydroxyphenylethanol[no description available]low00methoxybenzenes;
phenols
acetosyringone[no description available]low00acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
bis(4-oxyphenyl)sulfide[no description available]low00phenols
hydroxyphenytoin[no description available]low00imidazolidine-2,4-dione;
phenols		metabolite
2-(2-hydroxyphenyl)benzothiazole[no description available]low00benzothiazoles;
phenols		geroprotector
cue-lure[no description available]low00benzoate ester;
phenols
methyl vanillate[no description available]low00aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite
2-isopropoxyphenol[no description available]low00aromatic ether;
phenols
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
laurolitsine[no description available]low00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
4-n-Pentylphenol[no description available]low00phenols
zingerone[no description available]low00methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
4-ethylphenol[no description available]low00phenolsfungal xenobiotic metabolite
butylated hydroxytoluene[no description available]low00phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2,6-di-tert-butylphenol[no description available]low00alkylbenzene;
phenols		antioxidant
dimethophrine[no description available]low00methoxybenzenes;
phenols
4-vinyl-2,6-dimethoxyphenol[no description available]low00methoxybenzenes;
phenols
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
closantel[no description available]low00aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
fomesafen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
naxagolide[no description available]low00organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist
4-vinylphenol[no description available]low00phenolshuman urinary metabolite;
human xenobiotic metabolite
4-ethylguaiacol[no description available]low00methoxybenzenes;
phenols
nelfinavir[no description available]low00aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
salicylhydroxamic acid[no description available]low00hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
guaethol[no description available]low00aromatic ether;
phenols;
volatile organic compound		flavouring agent
cresatin[no description available]low00benzoate ester;
phenols
4-trifluoromethylphenol[no description available]low00(trifluoromethyl)benzenes;
phenols		drug metabolite;
marine xenobiotic metabolite
3-pentadecylphenol[no description available]low00phenols
chavicol[no description available]low00phenols;
phenylpropanoid
ibopamine[no description available]low00benzoate ester;
phenols
4-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite
2-hydroxy-4-methoxybenzaldehyde[no description available]low00methoxybenzenes;
phenols
methyl syringate[no description available]low00benzoate ester;
dimethoxybenzene;
phenols		plant metabolite
vanitiolide[no description available]low00methoxybenzenes;
phenols
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
rubrofusarin[no description available]low00aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
2,5-di-tert-butyl-4-hydroxyanisole[no description available]low00methoxybenzenes;
phenols
methyl gentisate[no description available]low00benzoate ester;
phenols
4-hydroxyindole[no description available]low00hydroxyindoles;
phenols
benzoyltyrosine ethyl ester[no description available]low00benzamides;
ethyl ester;
L-tyrosine derivative;
phenols		chromogenic compound
methyl 3-(4-hydroxyphenyl)propionate[no description available]low00methyl ester;
phenols		nitrification inhibitor;
plant growth regulator
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene[no description available]low00phenols
acetaminophen mercapturate[no description available]low00acetamides;
organic sulfide;
phenols;
S-substituted N-acetyl-L-cysteine		drug metabolite;
human urinary metabolite;
rat metabolite
adriamycinol[no description available]low00aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite
3-hydroxymandelic acid[no description available]low002-hydroxy monocarboxylic acid;
phenols		human metabolite
n-acetyltyrosine, (dl)-isomer[no description available]low00N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite
2-tyrosine[no description available]low00non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative
2-amino-5-chlorophenol[no description available]low00monochlorobenzenes;
phenols;
primary amino compound
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
alpha-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
laudanine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate
tyrphostin 8[no description available]low00phenols
4-hydroxymexiletine[no description available]low00aromatic ether;
phenols
sugiol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
gamma-glutamyltyrosine[no description available]low00dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide		human metabolite
6-paradol[no description available]low00ketone;
monomethoxybenzene;
phenols
2-hydroxy-5-methoxybenzaldehyde[no description available]low00benzaldehydes;
monomethoxybenzene;
phenols
4-(4-hydroxyphenyl)-2-butanol[no description available]low00phenols
tetrangulol[no description available]low00p-quinones;
phenols;
tetraphenes		bacterial metabolite
terphenyllin[no description available]low00dimethoxybenzene;
para-terphenyl;
phenols		Aspergillus metabolite;
mycotoxin
2,3-bis(4-hydroxyphenyl)-propionitrile[no description available]low00nitrile;
phenols		estrogen receptor agonist
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid[no description available]low00dihydroxy monocarboxylic acid;
phenols		human urinary metabolite
sn 38[no description available]low00delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
ly 117018[no description available]low001-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols		bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator
5-hydroxypropafenone[no description available]low00phenols
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
3-chloro-4-hydroxyphenylacetic acid[no description available]low00hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols		mammalian metabolite
eseroline[no description available]low00phenols;
pyrroloindole		human xenobiotic metabolite;
opioid analgesic
hydrangenol[no description available]low00dihydroisocoumarins;
phenols		anti-allergic agent;
plant metabolite
maculosin[no description available]low00dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite
2-o-methylpyrogallol[no description available]low00methoxybenzenes;
phenols
dopamine 3-o-sulfate[no description available]low00aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite
estriol-16 alpha-glucuronide[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
beta-D-glucosiduronic acid;
phenols;
steroid glucosiduronic acid		human urinary metabolite
emodin anthrone[no description available]low00anthracenone;
phenols		fungal metabolite
4'-demethylpodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
4'-demethylepipodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
dopamine 4-o-sulfate[no description available]low00aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite
rubimaillin[no description available]low00benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
desvenlafaxine[no description available]low00cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
tilivalline[no description available]low00indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine		bacterial metabolite;
microtubule-stabilising agent;
toxin
4-acetamidophenyl-2-thiophenecarboxylate[no description available]low00benzoate ester;
phenols
yakuchinone-a[no description available]low00ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
aclacinomycin[no description available]low00aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite
n-methylserotonin[no description available]low00phenols;
tryptamines		human metabolite;
plant metabolite
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
actinodaphine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor
sulochrin[no description available]low00benzophenones;
carboxylic ester;
phenols		metabolite
isohomovanillic acid[no description available]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
4'-demethyldesoxypodophyllotoxin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
gingerdione[no description available]low00beta-diketone;
monomethoxybenzene;
phenols
etilefrine hydrochloride[no description available]low00phenols
8-gingerol[no description available]low00beta-hydroxy ketone;
monomethoxybenzene;
phenols
10-gingerol[no description available]low00beta-hydroxy ketone;
monomethoxybenzene;
phenols
pluviatolide[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite
nordihydrocapsaicin[no description available]low00methoxybenzenes;
phenols
erysodine[no description available]low00aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
isomhpg[no description available]low00methoxybenzenes;
phenols
rubrofusarin B[no description available]low00aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2,5-dihydroxybenzyl alcohol[no description available]low00aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide[no description available]low00anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols		antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor
deferasirox[no description available]low00benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
succinobucol[no description available]low00benzoate ester;
phenols
fonsecin[no description available]low00aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite
4-allyl-2,6-dimethoxyphenol[no description available]low00dimethoxybenzene;
phenols;
phenylpropanoid
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
4-(2-Amino-1,3-thiazol-4-yl)phenol[no description available]low00phenols
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene[no description available]low00benzoate ester;
phenols
maackiain[no description available]low00phenols;
pterocarpans
2-methoxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite
metoprolol tartrate[no description available]low00alcohol;
phenols
ferruginol[no description available]low00abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
abyssinone i[no description available]low00monohydroxyflavanone;
phenols		apoptosis inhibitor;
plant metabolite
abyssinone v[no description available]low004'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite
oxyacanthine[no description available]low00bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound
agnuside[no description available]low00benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
cleomiscosin a[no description available]low00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
sr 12813[no description available]low00organic phosphonate;
phenols		pregnane X receptor agonist
mycophenolic acid[no description available]low002-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
stigmatellin[no description available]low00aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
3-hydroxyhippuric acid[no description available]low00N-acylglycine;
phenols		metabolite
aclarubicin[no description available]low00aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
teniposide[no description available]low00aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
chavibetol[no description available]low00methoxybenzenes;
phenols
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
2-hydroxycinnamic acid[no description available]low002-coumaric acid;
phenols		antioxidant;
metabolite
2'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile[no description available]low00phenols
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one[no description available]low00methoxybenzenes;
phenols
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol[no description available]low00methoxybenzenes;
phenols
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol[no description available]low00methoxybenzenes;
phenols
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester[no description available]low00benzoate ester;
phenols
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester[no description available]low00benzoate ester;
phenols
zucapsaicin[no description available]low00methoxybenzenes;
phenols
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester[no description available]low00benzoate ester;
phenols
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester[no description available]low00benzoate ester;
phenols
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester[no description available]low00benzoate ester;
phenols
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester[no description available]low00methoxybenzenes;
phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester[no description available]low00methoxybenzenes;
phenols
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile[no description available]low00methoxybenzenes;
phenols
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester[no description available]low00benzoate ester;
phenols
monastrol[no description available]low00enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
dezocine[no description available]low00phenols;
primary amino compound		opioid analgesic
3-methoxy-4-hydroxyphenylglycol sulfate[no description available]low00alcohol;
phenols
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
4-hydroxyphenethylene glycol[no description available]low00phenols
5-hydroxybenzimidazole[no description available]low00benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester[no description available]low00benzoate ester;
phenols
n,o-didesmethylvenlafaxine[no description available]low00cyclohexanols;
phenols;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]low00benzoate ester;
phenols
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester[no description available]low00benzoate ester;
phenols
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester[no description available]low00benzoate ester;
phenols
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester[no description available]low00benzoate ester;
phenols
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole[no description available]low00phenols;
pyrazoles		estrogen receptor agonist
6-iodonordihydrocapsaicin[no description available]low00methoxybenzenes;
phenols
3-(4-hydroxyphenyl)-1-propane[no description available]low004-hydroxycinnamyl alcohol;
phenols;
phenylpropanoid		monolignol
sinapaldehyde[no description available]low00cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
mycophenolate mofetil[no description available]low00carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
isobutrin[no description available]low00beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
euxanthone[no description available]low00phenols;
xanthones		metabolite;
plant metabolite
mangostin[no description available]low00aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
swerchirin[no description available]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
4-hydroxychalcone[no description available]low00chalcones;
phenols		antihypertensive agent;
plant metabolite
4'-hydroxychalcone[no description available]low00chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent
olvanil[no description available]low00methoxybenzenes;
phenols
n-cinnamoyltyramine[no description available]low00cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor
methyl brevifolincarboxylate[no description available]low00cyclic 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
3-deoxysappanchalcone[no description available]low00chalcones;
monomethoxybenzene;
phenols		metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
alpha-cyano-4-hydroxycinnamic acid[no description available]low00monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material
macluraxanthone b[no description available]low00phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite
flavokawain b[no description available]low00chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
lichexanthone[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
alternariol[no description available]low00benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
sorbicillin[no description available]low00phenols
decussatin[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
gamma-mangostin[no description available]low00phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
flavasperone[no description available]low00aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite
su 1498[no description available]low00enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide		vascular endothelial growth factor receptor antagonist
n-feruloylserotonin[no description available]low00aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
eupomatenoid 6[no description available]low00benzofurans;
phenols		anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin[no description available]low00organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist
monorden[no description available]low00cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
cefatrizine[no description available]low00amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
sibiromycin[no description available]low00aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite
(8)-shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
(10)-shogaol[no description available]low00enone;
monomethoxybenzene;
phenols
arvanil[no description available]low00methoxybenzenes;
phenols
ro 25-6981[no description available]low00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
3-tyrosine[no description available]low00hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols		plant metabolite
camostat[no description available]low00aromatic ether;
phenols
jasplakinolide[no description available]low00cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
topopyrone c[no description available]low00naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
estin[no description available]low001-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols		Aspergillus metabolite;
Penicillium metabolite
mdl 105725[no description available]low00methoxybenzenes;
phenols
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
nidulalin a[no description available]low00methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite
hypothemycin[no description available]low00aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite
vernakalant[no description available]low00alcohol;
phenols
elloramycin[no description available]low00alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite
arachidonoylserotonin[no description available]low00N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule
avenanthramide b[no description available]low00amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin
vilanterol[no description available]low00benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
lactonamycin[no description available]low00gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite
nigerloxin[no description available]low00aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one[no description available]low00diarylheptanoid;
enone;
phenols		plant metabolite
cardanol[no description available]low00phenols
glyceryl ferulate[no description available]low001-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter
laurinterol[no description available]low00organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
10-isobutyryloxy-8,9-epoxythymol isobutyrate[no description available]low00benzoate ester;
phenols
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
diversonol[no description available]low00phenols;
tertiary alcohol		antibacterial agent;
metabolite
alloin[no description available]low00anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
1-O-feruloyl-beta-D-glucose[no description available]low00aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite
ligstroside[no description available]low00beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite
shamixanthone[no description available]low00cyclic ketone;
phenols;
pyranoxanthene		metabolite
siphonazole[no description available]low00methoxybenzenes;
phenols
vx-770[no description available]low00aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol[no description available]low00phenols
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone[no description available]low00methoxybenzenes;
phenols
respirantin[no description available]low00benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde[no description available]low00alcohol;
phenols
avilamycin a[no description available]low00benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
bromophycolide a[no description available]low00diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
n-trans-feruloyloctopamine[no description available]low00methoxybenzenes;
phenols
marinopyrrole a[no description available]low00aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite
chondramide c[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
debromoaplysiatoxin[no description available]low00aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde[no description available]low001-benzofurans;
aldehyde;
phenols		Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one[no description available]low00diarylheptanoid;
ketone;
phenols		plant metabolite
hordatine a[no description available]low00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
chondramide a[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
quinolobactin[no description available]low00aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore
novobiocin[no description available]low00carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
ilicicolin h[no description available]low00aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor
naloxegol[no description available]low00aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist
fertaric acid[no description available]low00aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative
callipeltin a[no description available]low00cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite
opt 80[no description available]low00carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols		antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
brasilicardin a[no description available]low00benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent
ML355[no description available]low00benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
acarbose[no description available]low00chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite
pf-06687252[no description available]low00azabicycloalkane;
enone;
phenols;
pyridines
chondramide d[no description available]low00chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite
biliatresone[no description available]low00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
can 508[no description available]low00aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
nu 1025[no description available]low00phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
quininib[no description available]low00phenols;
styrylquinoline		angiogenesis inhibitor
pp242[no description available]low00aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor
dehydroluciferin[no description available]low001,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols		animal metabolite;
luciferin
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
tilimycin[no description available]low00phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin
ConditionIndicatedRelationship StrengthStudiesTrials
Neuroblastoma0low10