bacillaene: an inhibitor of procaryotic protein synthesis; produced by the PksX megacomplex; isolated from Bacillus subtilis; a hexaene with molecular formula C35-H48-O7 [MeSH]
bacillaene : A polyene antibiotic obtained from Bacillus subtilis 168 that is active against a broad spectrum of bacteria. It is notoriously unstable. [CHeBI]
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| diaziquone | | 1,4-benzoquinones;
aziridines;
carbamate ester;
enamine | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydroalanine | | 2,3-dehydroamino acid;
alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion;
enamine;
non-proteinogenic alpha-amino acid | alkylating agent;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 224070 | | 1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile | | aliphatic nitrile;
chromenes;
cyclic ketone;
enamine;
enone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Methyl 2-cyano-3-(dimethylamino)acrylate | | enamine;
enone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u 0126 | | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neticonazole | | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydrobutyrine | | 2,3-dehydroamino acid;
enamine;
threonine derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flupyradifurone | | butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound | insecticide;
nicotinic acetylcholine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SL-327 | | (trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline | EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monoisopropanolamine | | amino alcohol;
secondary alcohol | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-butylene glycol | | butanediol;
glycol;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isocitric acid | | secondary alcohol;
tricarboxylic acid | fundamental metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| menthol | | p-menthane monoterpenoid;
secondary alcohol | volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alprenolol | | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bisoprolol | | secondary alcohol;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carteolol | | quinolone;
secondary alcohol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carvedilol | | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cgp 12177 | | aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorphenesin carbamate | | carbamate ester;
monochlorobenzenes;
secondary alcohol | muscle relaxant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclandelate | | carboxylic ester;
secondary alcohol | vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-phenyl-2-palmitoylamino-3-morpholino-1-propanol | | benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| berotek | | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formoterol fumarate | | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-propanol | | secondary alcohol;
secondary fatty alcohol | protic solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoproterenol | | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| labetalol | | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mefloquine hydrochloride | | organofluorine compound;
piperidines;
quinolines;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metaproterenol | | aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methocarbamol | | aromatic ether;
carbamate ester;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metoprolol | | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| midodrine | | amino acid amide;
aromatic ether;
secondary alcohol | alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| practolol | | acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propafenone | | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salmeterol xinafoate | | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sotalol | | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cycloheximide | | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-butanol | | secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pseudoephedrine | | phenylethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzohydrol | | benzyl alcohols;
secondary alcohol | bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,3-dichloro-2-propanol | | organochlorine compound;
secondary alcohol | cross-linking reagent;
protic solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl lactate | | ethyl ester;
lactate ester;
secondary alcohol | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 12-hydroxy stearic acid | | hydroxyoctadecanoic acid;
secondary alcohol | bacterial xenobiotic metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclohexanol | | cyclohexanols;
secondary alcohol | solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diisopropanolamine | | aminodiol;
secondary alcohol;
secondary amino compound | buffer;
emulsifier;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3,5-trimethylcyclohexanol | | cyclohexanols;
secondary alcohol | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-5-(1-methylethenyl)cyclohexanol | | p-menthane monoterpenoid;
secondary alcohol | acaricide;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hexanol | | hexanol;
secondary alcohol | human metabolite;
plant metabolite;
semiochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nonanol | | nonanol;
secondary alcohol | bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl mandelate | | ethyl ester;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexafluoroisopropanol | | organofluorine compound;
secondary alcohol | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-quinuclidinol | | quinuclidines;
secondary alcohol;
tertiary amine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-undecanol | | secondary alcohol;
undecanol | animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spectinomycin | | cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-hexanediol | | glycol;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-octanol | | octanol;
secondary alcohol | plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulcatol | | secondary alcohol | pheromone | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-indanol | | aromatic alcohol;
indanes;
secondary alcohol | xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| helenalin | | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colterol | | catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ornidazole | | C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol | antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-chloro-2-propanol | | organochlorine compound;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| du-21220 | | benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bitolterol | | carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diisopropanolnitrosamine | | diol;
nitrosamine;
secondary alcohol | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triadimenol | | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| st 1059 | | aromatic ether;
primary amino compound;
secondary alcohol | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pravastatin | | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ractopamine | | benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ranolazine | | aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lisofylline | | dimethylxanthine;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| esmolol | | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eliprodil | | monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nelfinavir | | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| calanolide a | | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cephalotaxine | | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 16-hydroxytestosterone | | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol | androgen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nebivolol | | chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| secnidazole | | C-nitro compound;
imidazoles;
secondary alcohol | epitope | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zaluzanin C | | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-amyrin | | pentacyclic triterpenoid;
secondary alcohol | Aspergillus metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-amyrin | | pentacyclic triterpenoid;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandelamide | | benzyl alcohols;
monocarboxylic acid amide;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluoren-9-ol | | hydroxyfluorenes;
secondary alcohol | animal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loganin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-cyano-2-hydroxy-3-butene | | secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bitertanol | | aromatic ether;
biphenyls;
secondary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taraxerol | | pentacyclic triterpenoid;
secondary alcohol | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,4'-oxydi-2-butanol | | secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lactamide | | monocarboxylic acid amide;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sporidesmin | | aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | mycotoxin;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erythrodiol | | diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | | carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol | GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | | nitrosamine;
pyridines;
secondary alcohol | biomarker;
carcinogenic agent;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxydebrisoquin | | carboxamidine;
isoquinolines;
secondary alcohol | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tabtoxin | | dipeptide;
L-threonine derivative;
monobactam;
secondary alcohol | bacterial metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| florfenicol | | organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| megestrol acetate | | bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol | GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| paliperidone | | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taraxasterol | | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cubebin | | benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol | analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bw 245c | | imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| conduritol b | | cyclitol;
secondary alcohol;
tetrol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| withanolide d | | 20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml 236a | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| corynoline | | benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol | antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumagillol | | secondary alcohol;
sesquiterpenoid;
spiro-epoxide | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lupeol | | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| withaferin a | | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxypropylphosphonic acid | | phosphonic acids;
secondary alcohol | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xv 638 | | 1,3-thiazoles;
benzamides;
diazepanone;
diol;
secondary alcohol;
secondary carboxamide;
ureas | HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hippeastrine | | delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decursinol | | cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol | analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lactucin | | azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone | antimalarial;
plant metabolite;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yersiniabactin | | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prostaglandin h2 | | olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (north)-methanocarbathymidine | | C-glycosyl pyrimidine;
carbobicyclic compound;
primary alcohol;
pyrimidone;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mupirocin | | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| costatolide | | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 1163a | | aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol | antifungal agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiamulin | | carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid | antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| wiskostatin | | carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galanal a | | secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brl 15572 | | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| australifungin | | carbobicyclic compound;
enol;
enone;
secondary alcohol | antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bryostatin 1 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cholecalciferol | | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leukotriene e4 | | amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | | prostaglandins J;
secondary alcohol | antineoplastic agent;
antiviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| previtamin d(3) | | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azadirachtin | | acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol | hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| strigol | | indenofuran;
secondary alcohol;
strigolactone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eupatolide | | gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 683590 | | ether;
lactol;
macrolide;
secondary alcohol | antifungal agent;
bacterial metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 17-phenyltrinorprostaglandin e2 | | alicyclic ketone;
beta-hydroxy ketone;
hydroxy monocarboxylic acid;
olefinic compound;
oxo monocarboxylic acid;
prostanoid;
secondary alcohol | human metabolite;
prostaglandin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dinor-6-ketoprostaglandin f1alpha | | 4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-isoprostaglandin e2 | | cyclic ketone;
diol;
prostanoid;
secondary alcohol | bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sirolimus | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| calcipotriene | | cyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol | antipsoriatic;
drug allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay u9773 | | benzoic acids;
dicarboxylic acid;
organic sulfide;
polyunsaturated fatty acid;
secondary alcohol | leukotriene antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iloprost | | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| andrographolide | | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oridonin | | cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol | angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lasalocid | | beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
coccidiostat;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pederin | | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptogramin a | | 1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide | antibacterial drug;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benanomicin b | | aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pradimicin b | | aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| poricoic acid a | | dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| poricoic acid g | | dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pradimicin a | | aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 685458 | | carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ici 118551 | | aromatic ether;
indanes;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uniconazole | | monochlorobenzenes;
secondary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diniconazole | | dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lumefantrine | | fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine | antimalarial | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bryostatin 2 | | bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | antineoplastic agent;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| everolimus | | cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol | anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terpestacin | | secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chaetoviridin a | | azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol | antifungal agent;
Chaetomium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 25-6981 | | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beraprost | | enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol | anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yunaconitine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| laulimalide | | carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol | animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indacaterol | | indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| grayanotoxin i | | acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid | antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 148083 | | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95a | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| solabegron | | carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline | beta-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monacolin j | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ustiloxin b | | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutinol | | pentacyclic triterpenoid;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-epi-fagomine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly 411575 | | dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manassantin b | | benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95b | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ossamycin | | cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dihydro-3beta-methoxy withaferin A | | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| migrastatin | | ether;
macrolide antibiotic;
piperidones;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allobetulinol | | cyclic ether;
secondary alcohol;
triterpenoid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brivanib | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-onocerin | | diol;
olefinic compound;
secondary alcohol;
triterpenoid | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olodaterol | | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cortistatin a | | cortistatins;
diol;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amrubicinol | | diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes | antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytotrienin a | | cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrostatin a | | 1,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oplodiol | | carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| simalikalactone D | | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol | antimalarial;
antineoplastic agent;
antiviral agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monacolin l | | 2-pyranones;
hexahydronaphthalenes;
polyketide;
secondary alcohol | anticholesteremic drug;
Aspergillus metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dihydrowithaferin A | | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adonixanthin | | carotenone;
cyclic ketone;
secondary alcohol | algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-hydroxyechinenone | | carotenone;
enone;
secondary alcohol | bacterial metabolite;
biological pigment;
cofactor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubocapsanolide a | | 4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide | antineoplastic agent;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyranonigrin a | | cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol | antioxidant;
Aspergillus metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoylaconine | | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tricin 4'-o-(threo-beta-guaiacylglyceryl) ether | | dimethoxybenzene;
flavonolignan;
polyphenol;
primary alcohol;
secondary alcohol | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lucidenic acid n | | cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid | antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyaconitine | | acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4'-epichaetoviridin A | | azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol | Chaetomium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eliglustat | | benzodioxine;
carboxamide;
N-alkylpyrrolidine;
secondary alcohol | EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| borrelidin | | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspergillide b | | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delanzomib | | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoylmesaconine | | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | analgesic;
antiinfective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| papuamide b | | cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol | anti-HIV-1 agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| albiflorin | | benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol | neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antroquinonol d | | enol ether;
enone;
secondary alcohol | antineoplastic agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumonisin b4 | | diester;
fumonisin;
primary amino compound;
secondary alcohol | Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cay 10580 | | hydroxy monocarboxylic acid;
pyrrolidin-2-ones;
secondary alcohol | prostaglandin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| debromoaplysiatoxin | | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aplysiatoxin | | aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| eurycomanone | | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol | antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| crambescidin 800 | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| afidopyropen | | cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol | agrochemical;
insecticide;
TRPV channel modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orobanchol | | indenofuran;
secondary alcohol;
strigolactone | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperfuranone | | 2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspergillide a | | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| capilliposide b | | alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myriaporone 3 | | beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| BDA-366 | | anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclooctatin | | carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entecavir | | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysogine | | cyclic amide;
quinazoline alkaloid;
quinazolines;
secondary alcohol;
secondary amide | Aspergillus metabolite;
biological pigment;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| visnagin | | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dronabinol | | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norsolorinic acid | | polyketide;
tetrahydroxyanthraquinone | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyoluteorin | | aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols | antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lovastatin | | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mevastatin | | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 154819 | | carbobicyclic compound;
dihydroxy monocarboxylic acid;
fatty acid ester;
polyketide | Aspergillus metabolite;
drug metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin | | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uvaretin | | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delta(9)-tetrahydrocannabinolic acid | | benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide | anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| annomontacin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclacinomycin | | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabidiolic acid | | dihydroxybenzoic acid;
phytocannabinoid;
polyketide;
resorcinols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin B | | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| troleandomycin | | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| squamocin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefadroxil | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclarubicin | | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| averufin | | cyclic ketal;
organic heteropentacyclic compound;
polyketide;
polyphenol | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olivetolic acid | | benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salinomycin | | polyketide;
spiroketal | animal growth promotant;
potassium ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mucocin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manumycin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| squalestatin 1 | | acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asukamycin | | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabigerolic acid | | dihydroxybenzoic acid;
diterpenoid;
phytocannabinoid;
polyketide;
resorcinols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fostriecin | | 2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hypothemycin | | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 900848 | | cyclopropanes;
nucleoside analogue;
olefinic compound;
polyketide;
secondary carboxamide | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trilobacin | | butenolide;
polyketide;
triol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspalathin | | C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol | antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| murisolin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zaragozic acid c | | acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascin | | alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide | antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascorubrin | | azaphilone;
enone;
gamma-lactone;
polyketide;
triketone | anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| depudecin | | polyketide | EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde | | dihydroxybenzaldehyde;
polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colibactin | | 1,3-thiazoles;
azaspiro compound;
polyketide;
pyrroline;
secondary carboxamide | alkylating agent;
carcinogenic agent;
Escherichia coli metabolite;
genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amphotericin b | | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| natamycin | | antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic | antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| candicidin | | macrolide antibiotic;
polyene antibiotic | antifungal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetamide | | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indoleacetamide | | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydrolipoamide | | dithiol;
monocarboxylic acid amide | cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formamide | | carboximidic acid;
formamides;
monocarboxylic acid amide;
one-carbon compound | solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lipoamide | | dithiolanes;
monocarboxylic acid amide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrazinamide | | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| urea | | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pk 11195 | | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(n,n-hexamethylene)amiloride | | aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines | antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylisopropylamiloride | | aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound | anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acebutolol | | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetazolamide | | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetochlor | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alachlor | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfuzosin | | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ampiroxicam | | acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide | analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atenolol | | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzquinamide | | monocarboxylic acid amide | antiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bicalutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carcinine | | beta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound | antioxidant;
crustacean metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dacarbazine | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibucaine | | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethoate | | monocarboxylic acid amide;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disopyramide | | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| doxazosin | | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etanidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fentanyl | | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flecainide | | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flutamide | | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glipizide | | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lidocaine | | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leflunomide | | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| qx-314 | | monocarboxylic acid amide | local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| loperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| modafinil | | monocarboxylic acid amide;
sulfoxide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deet | | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipamperone | | aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prazosin | | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prilocaine | | amino acid amide;
monocarboxylic acid amide | anticonvulsant;
local anaesthetic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propachlor | | anilide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbamylhydrazine | | carbohydrazide;
monocarboxylic acid amide;
one-carbon compound;
ureas | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| temozolomide | | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lysergic acid diethylamide | | ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound | dopamine agonist;
hallucinogen;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propionamide | | monocarboxylic acid amide;
primary fatty amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylacetamide | | acetamides;
monocarboxylic acid amide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-phenylacetamide | | monocarboxylic acid amide | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-aminonicotinamide | | aminopyridine;
monocarboxylic acid amide;
primary amino compound | antimetabolite;
EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminoimidazole carboxamide | | aminoimidazole;
monocarboxylic acid amide | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valeramide | | monocarboxylic acid amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| devrinol | | aromatic ether;
monocarboxylic acid amide;
naphthalenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamphenicol | | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lisuride | | monocarboxylic acid amide | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethylacetamide | | acetamides;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzonidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | antiprotozoal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methyl-n-(trimethylsilyl)trifluoroacetamide | | monocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide | chromatographic reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tocainide | | monocarboxylic acid amide | anti-arrhythmia drug;
local anaesthetic;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bezafibrate | | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| closantel | | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alfentanil | | monocarboxylic acid amide;
piperidines | central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| remifentanil | | alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester | intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valsartan | | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methylfentanyl | | monocarboxylic acid amide;
piperidines | mu-opioid receptor agonist;
opioid analgesic;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-fluorofentanyl | | monocarboxylic acid amide;
organofluorine compound;
piperidines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2,4-triazole-3-carboxamide | | aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
triazoles | drug metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aloxistatin | | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylacetylglycine | | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-methyl-1-triazeno)imidazole-4-carboxamide | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biocytin | | azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas | mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biotinamide | | biotins;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-diphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose monophosphate | antiviral agent;
drug metabolite;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
human blood serum metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| difenpiramide | | biphenyls;
monocarboxylic acid amide;
pyridines | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u 69593 | | monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound | anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenazine-1-carboxamide | | aromatic amide;
monocarboxylic acid amide;
phenazines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-triphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate | antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-carbamoylimidazolium 5-olate | | hydroxyimidazole;
monocarboxylic acid amide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribavirin 5'-diphosphate | | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate | antiviral agent;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methotrexate | | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dexpanthenol | | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cercosporamide | | dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol | antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclazosin | | aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative | adenosine A2A receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nepafenac | | monocarboxylic acid amide | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rp 73401 | | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | | anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols | antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norfentanyl | | anilide;
monocarboxylic acid amide;
piperidines | drug metabolite;
opioid analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rocaglamide | | monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound | antileishmanial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taurolithocholic acid | | bile acid taurine conjugate;
monocarboxylic acid amide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ochratoxin a | | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ergonovine | | ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | diagnostic agent;
fungal metabolite;
oxytocic;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| darifenacin | | 1-benzofurans;
monocarboxylic acid amide;
pyrrolidines | antispasmodic drug;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-(n-ethylcarboxamide) | | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiazofurin | | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucuronamide | | monocarboxylic acid amide;
monosaccharide derivative | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide | | monocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide | chromatographic reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide | | anilide fungicide;
monocarboxylic acid amide;
monochlorobenzenes;
organosulfur compound;
thiadiazoles | antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lincomycin | | carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u-50488 | | dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine | analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-octylhomovanillamide | | guaiacols;
monocarboxylic acid amide | protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine-5'-(N-propyl)carboxamide | | adenosines;
monocarboxylic acid amide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dasatinib | | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ex 527 | | carbazoles;
monocarboxylic acid amide;
organochlorine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entacapone | | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulenin | | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fortimicin a | | amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenretinide | | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bimatoprost | | monocarboxylic acid amide | antiglaucoma drug;
antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ag-490 | | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 11248 | | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monocrotophos | | alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aliskiren | | monocarboxylic acid amide;
monomethoxybenzene | antihypertensive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 1498 | | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | | enoate ester;
methyl ester;
monocarboxylic acid amide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ekb 569 | | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| netupitant | | aminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes | antiemetic;
neurokinin-1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide | | (trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methyl-d-lysergic acid butanolamide | | ergot alkaloid;
monocarboxylic acid amide | serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platensimycin | | aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vilazodone | | 1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile | antidepressant;
serotonergic agonist;
serotonin uptake inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-demethylloperamide | | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lenvatinib | | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avibactam | | azabicycloalkane;
hydroxylamine O-sulfonic acid;
monocarboxylic acid amide;
ureas | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mirabegron | | 1,3-thiazoles;
aromatic amide;
ethanolamines;
monocarboxylic acid amide | beta-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avanafil | | aromatic amide;
monocarboxylic acid amide;
organochlorine compound;
prolinols;
pyrimidines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rivaroxaban | | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selexipag | | aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound | orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine | | adenosines;
monocarboxylic acid amide;
organoiodine compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly-2157299 | | aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines | antineoplastic agent;
TGFbeta receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| SIS3 free base | | aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide | Smad3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bl1521 | | enamide;
hydroxamic acid;
monocarboxylic acid amide | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tasimelteon | | 1-benzofurans;
cyclopropanes;
monocarboxylic acid amide | melatonin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| edoxaban | | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 901464 | | acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 477118 | | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandipropamid | | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 60-6583 | | aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide | adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vx-770 | | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platencin | | aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tenovin-6 | | monocarboxylic acid amide;
tertiary amino compound;
thioureas | antineoplastic agent;
p53 activator;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cobicistat | | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazaindolizine | | aromatic amide;
imidazopyridine;
monocarboxylic acid amide;
monochlorobenzenes;
monomethoxybenzene;
N-sulfonylcarboxamide;
organofluorine pesticide | agrochemical;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| novobiocin | | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piroxicam | | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mobic | | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mobiflex | | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoxicam | | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lornoxicam | | heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptolydigin | | bridged compound;
cyclic ketal;
enol;
monocarboxylic acid amide;
N-glycosyl compound;
organic heterobicyclic compound;
pyrrolidinone;
spiro-epoxide | antimicrobial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk1265744 | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dolutegravir | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide | | aromatic amide;
monocarboxylic acid amide;
organofluorine compound;
pyrazoles;
trichlorobenzene | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| HG-10-102-01 | | aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bictegravir | | monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ver 52296 | | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| citric acid, anhydrous | | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fosmidomycin | | hydroxamic acid;
phosphonic acids | antimicrobial agent;
bacterial metabolite;
EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorocresol | | hydroxytoluene;
monochlorobenzenes | antimicrobial agent;
disinfectant;
ryanodine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromodiphenhydramine | | organobromine compound;
tertiary amino compound | antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ciprofloxacin | | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clioquinol | | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| embelin | | dihydroxy-1,4-benzoquinones | antimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lomefloxacin | | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antimicrobial agent;
antitubercular agent;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metronidazole | | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nalidixic acid | | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxolinic acid | | aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxyphenbutazone | | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| patulin | | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfadiazine | | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptonigrin | | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfacetamide | | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfadimethoxine | | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfamethazine | | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfamethizole | | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfamethoxazole | | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gatifloxacin | | N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloramphenicol | | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allyl isothiocyanate | | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cephalothin | | azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylene blue | | organic chloride salt | acid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| linalool | | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propylparaben | | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha phellandrene | | cyclohexadiene;
phellandrene | antimicrobial agent;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclocarban | | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| liriodenine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carvacrol | | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hadacidin | | aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfamoxole | | oxazole;
sulfonamide antibiotic;
sulfonamide | antimicrobial agent;
drug allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vancomycin | | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spectinomycin | | cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxy-1,4-naphthoquinone | | 1,4-naphthoquinones;
enol ether | antimicrobial agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pentadecanal | | 2,3-saturated fatty aldehyde;
long-chain fatty aldehyde | antimicrobial agent;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-octen-3-ol | | alkenyl alcohol;
medium-chain fatty alcohol | antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cephaloglycin | | beta-lactam antibiotic allergen;
cephalosporin | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptomycin | | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitroxoline | | C-nitro compound;
monohydroxyquinoline | antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitomycin a | | ether;
mitomycin | alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamphenicol | | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptozocin | | N-acylglucosamine;
N-nitrosoureas | antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribostamycin | | amino cyclitol glycoside;
aminoglycoside antibiotic | antibacterial drug;
antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-chloro-2-methyl-4-isothiazolin-3-one | | 1,2-thiazoles;
organochlorine compound | antimicrobial agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nigericin | | polycyclic ether | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tobramycin | | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amikacin | | alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide | antibacterial drug;
antimicrobial agent;
nephrotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidazolidinyl urea | | ureas | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyl-4-isothiazolin-3-one | | 1,2-thiazoles | antifouling biocide;
antifungal agent;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epirubicin | | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spectinomycin dihydrochloride | | hydrochloride | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propamidine | | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexamidine | | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sinefungin | | adenosines;
non-proteinogenic alpha-amino acid | antifungal agent;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propamidine isethionate | | guanidinium salt;
organosulfonate salt | antimicrobial agent;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lupulon | | beta-bitter acid | angiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lomefloxacin hydrochloride | | hydrochloride | antimicrobial agent;
antitubercular agent;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arbekacin | | aminoglycoside;
kanamycins | antibacterial agent;
antibacterial drug;
antimicrobial agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enrofloxacin | | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vexibinol | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone | antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| furanomycin | | dihydrofuran;
non-proteinogenic L-alpha-amino acid | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoylmetronidazole | | benzoate ester | antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| primin | | 1,4-benzoquinones | allergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosufloxacin, 4-toluene sulfonate | | racemate | antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
hepatotoxic agent;
topoisomerase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-phenazinecarboxylic acid | | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| florfenicol | | organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cubebin | | benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol | analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olivomycin a | | olivomycin;
secondary alpha-hydroxy ketone | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tazobactam | | penicillanic acids;
triazoles | antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ay 25545 | | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3'-neotrehalosadiamine | | amino disaccharide;
glycosyl glycoside derivative | antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclacinomycin | | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| i-677 | | L-serine derivative;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pannarin | | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sclareol | | labdane diterpenoid | antifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enniatin b | | enniatin | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bisdechlorogeodin | | 1-benzofurans;
cyclohexadiene;
methyl ester;
oxaspiro compound | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml 236a | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroorienticin b | | cyclic ether;
glycopeptide;
heterodetic cyclic peptide;
monosaccharide derivative;
organochlorine compound;
polyphenol | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumagillol | | secondary alcohol;
sesquiterpenoid;
spiro-epoxide | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anisomycin | | monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acivicin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| puromycin | | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silver sulfadiazine | | pyrimidines;
silver salt;
sulfonamidate | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mycophenolic acid | | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fosfomycin | | epoxide;
phosphonic acids | antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclarubicin | | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aphidicolin | | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azaserine | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| antofine | | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabidiol | | olefinic compound;
phytocannabinoid;
resorcinols | antimicrobial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lincomycin | | carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valinomycin | | cyclodepsipeptide;
macrocycle | antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sf 2370 | | bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound | antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chuangxinmycin | | indole alkaloid;
monocarboxylic acid;
thiinoindole | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| telavancin | | glycopeptide | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apramycin | | 2-deoxystreptamine derivative;
aminoglycoside;
organic heterobicyclic compound | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fraxetin | | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quercetin 3-o-methyl ether | | monomethoxyflavone;
tetrahydroxyflavone | antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galangin | | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mangostin | | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| maytansine | | alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound | antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulenin | | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetylspiramycin | | acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly 163892 | | carbacephem;
zwitterion | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| geldanamycin | | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| herbimycin | | 1,4-benzoquinones;
lactam;
macrocycle | antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-cinnamoyltyramine | | cinnamamides;
phenols;
secondary carboxamide | allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| reumycin | | carbonyl compound;
pyrimidotriazine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bialaphos | | phosphinic acids;
tripeptide | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rifamycin sv | | acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins | antimicrobial agent;
antitubercular agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mastoparan | | mastoparans;
peptidyl amide | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfacetamide sodium | | hydrate;
organic sodium salt | antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rifaximin | | acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative | antimicrobial agent;
gastrointestinal drug;
orphan drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| germacrone | | germacrane sesquiterpenoid;
olefinic compound | androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| piericidin a | | aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol | antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manumycin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thermozymocidin | | alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| demycarosylturimycin h | | aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asukamycin | | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kalimantacin a | | alpha,beta-unsaturated monocarboxylic acid;
carbamate ester;
fatty acid derivative;
secondary carboxamide | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefluprenam | | cephalosporin;
thiadiazoles | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platensimycin | | aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumagillin | | antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide | angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gemifloxacin | | 1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gemifloxacin mesylate | | methanesulfonate salt | antimicrobial agent;
topoisomerase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avibactam | | azabicycloalkane;
hydroxylamine O-sulfonic acid;
monocarboxylic acid amide;
ureas | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ppi-0903 | | 1,3-thiazoles;
cephalosporin;
iminium betaine;
organic phosphoramidate;
oxime O-ether;
thiadiazoles | antibacterial drug;
antimicrobial agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95a | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| topopyrone c | | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monacolin j | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nidulalin a | | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| elloramycin | | alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arisugacin | | aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol | antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lactonamycin | | gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative | antibacterial agent;
antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tmc-95b | | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 901464 | | acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide | antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baci-im | | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptogramin b | | cyclodepsipeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tedizolid | | carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles | antimicrobial agent;
drug metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tedizolid phosphate | | carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles | antimicrobial agent;
prodrug;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 32,33,34,35-bacteriohopanetetrol | | hopanoid;
tetrol | antimicrobial agent;
bacterial metabolite;
lipoxygenase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chir 090 | | acetylenic compound;
benzamides;
hydroxamic acid;
L-threonine derivative;
morpholines | antimicrobial agent;
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor;
lipopolysaccharide biosynthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| finafloxacin | | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physalin b | | enone;
lactone;
organic heteroheptacyclic compound;
physalin | antimalarial;
antimicrobial agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anticapsin | | alicyclic ketone;
epoxide;
L-alanine derivative;
L-alpha-amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antimicrobial agent;
bacterial metabolite;
EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytotrienin a | | cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| complestatin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dalbavancin | | carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oritavancin | | disaccharide derivative;
glycopeptide;
semisynthetic derivative | antibacterial drug;
antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiazomycin | | heterodetic cyclic peptide | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ristocetin | | glycopeptide;
heterodetic cyclic peptide;
macrocycle;
tetrasaccharide derivative | antibacterial drug;
antimicrobial agent;
bacterial metabolite;
platelet-activating factor receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| platencin | | aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| respirantin | | benzamides;
cyclodepsipeptide;
formamides;
phenols | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avilamycin a | | benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cathestatin b | | dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound | antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tazobactam sodium | | organic sodium salt | antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clavulanate potassium | | potassium salt | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefmetazole sodium | | organic sodium salt | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| borrelidin | | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arenaemycin e | | alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide | antimicrobial agent;
bacterial metabolite;
EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marinopyrrole a | | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nxl 104 | | organic sodium salt | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brartemicin | | benzoate ester;
glycosyl glycoside derivative;
resorcinols | antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| muraymycin d2 | | zwitterion | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| roseoflavin | | benzopteridine | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coumermycin | | aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| novobiocin | | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ilicicolin h | | aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone | antimicrobial agent;
mitochondrial respiratory-chain inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptolydigin | | bridged compound;
cyclic ketal;
enol;
monocarboxylic acid amide;
N-glycosyl compound;
organic heterobicyclic compound;
pyrrolidinone;
spiro-epoxide | antimicrobial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vinylamycin | | cyclodepsipeptide;
macrocycle;
primary alcohol | antibacterial agent;
antimicrobial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brasilicardin a | | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zorbamycin | | glycopeptide | antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phleomycin d1 | | bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| duramycin | | heterodetic cyclic peptide;
macrocycle | antimicrobial agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ceftobiprole | | cephalosporin;
thiadiazoles | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrazofurin | | C-glycosyl compound;
pyrazoles | antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indolmycin | | 1,3-oxazoles;
indoles;
secondary amino compound | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptothricin f | | guanidinium ion;
primary aliphatic ammonium ion | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formic acid | | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| octanoic acid | | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mandelic acid | | 2-hydroxy monocarboxylic acid;
benzenes | antibacterial agent;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxyquinoline | | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alexidine | | biguanides | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azelaic acid | | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbonyl cyanide m-chlorophenyl hydrazone | | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chelerythrine | | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorhexidine | | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroxine | | monohydroxyquinoline;
organochlorine compound | antibacterial agent;
antifungal drug;
antiseborrheic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ciclopirox | | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decanoic acid | | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dichlorvos | | alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide | anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ebselen | | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gentian violet | | iminium ion | antibacterial agent;
antifungal agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| heptachlor | | cyclodiene organochlorine insecticide | agrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexachlorophene | | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-thujaplicin | | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodoquinol | | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lauric acid | | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naled | | dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide | acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| resorcinol monoacetate | | phenols;
phenyl acetates | antibacterial agent;
dermatologic drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfanilamide | | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triclosan | | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloxacillin | | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxacillin | | penicillin | antibacterial agent;
antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tert-butylhydroperoxide | | alkyl hydroperoxide | antibacterial agent;
oxidising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyocyanine | | iminium betaine;
phenazines | antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acriflavine chloride | | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetopyrrothine | | acetamides;
dithiolopyrrolone antibiotic | angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gramine | | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proflavine | | aminoacridines | antibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allyl alcohol | | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-hexanol | | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzethonium chloride | | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl acetoacetate | | ethyl ester | antibacterial agent;
flavouring agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diazooxonorleucine | | amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid | analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloflucarban | | monochlorobenzenes;
phenylureas | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naphthazarin | | hydroxy-1,4-naphthoquinone | acaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| physcione | | dihydroxyanthraquinone | anti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxybenzoxazolinone | | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dazomet | | dithiocarbamic ester;
thiadiazinane | antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gentian violet | | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| malachite green | | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brilliant green | | organic hydrogensulfate salt | antibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isovanillic acid | | methoxybenzoic acid;
monohydroxybenzoic acid | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfaethoxypyridazine | | sulfonamide | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrapyrin | | chloropyridine | agrochemical;
antibacterial agent;
nitrification inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucine | | aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound | antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dodine | | acetate salt;
aliphatic nitrogen antifungal agent | antibacterial agent;
antifungal agrochemical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxyindoleacetic acid | | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-phenylbutyric acid | | benzenes;
monocarboxylic acid | antibacterial agent;
bacterial xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylene bis(thiocyanate) | | thiocyanates | antibacterial agent;
fungicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyoluteorin | | aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols | antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-n-octyl-4-isothiazolin-3-one | | 1,2-thiazoles | antibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium azide | | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baicalin | | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allicin | | botanical anti-fungal agent;
sulfoxide | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bicozamycin | | azabicycloalkane;
bridged compound | antibacterial agent;
antidiarrhoeal drug;
antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toxoflavin | | carbonyl compound;
pyrimidotriazine | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| viridicatin | | hydroxyquinoline | antibacterial agent;
Aspergillus metabolite;
marine metabolite;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aureothricin | | dithiolopyrrolone antibiotic;
secondary carboxamide | angiogenesis inhibitor;
antibacterial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxetanocin a | | diol;
nucleoside analogue;
oxetanes;
primary alcohol | anti-HIV agent;
antibacterial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nucleocidin | | 6-aminopurines;
adenosines;
diol;
organofluorine compound;
sulfamate ester | antibacterial agent;
bacterial metabolite;
nucleoside antibiotic;
protein synthesis inhibitor;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neamine | | 2,6-dideoxy-alpha-D-glucoside;
aminoglycoside | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sigmoidin a | | 4'-hydroxyflavanones;
tetrahydroxyflavanone | anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| brazilin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arjunolic acid | | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | antibacterial agent;
antifungal agent;
antioxidant;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl protocatechuate | | catechols;
ethyl ester | antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| terreic acid | | arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prunin protein, prunus | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative | antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atromentin | | dihydroxy-1,4-benzoquinones;
polyphenol | antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydroacetic acid | | ketone;
pyran-2,4-dione | antibacterial agent;
fungicide;
plasticiser | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| senegalensin | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubiadin | | dihydroxyanthraquinone | antibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| soranjidiol | | dihydroxyanthraquinone | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hypothiocyanite ion | | one-carbon compound;
sulfur oxoacid | antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ilomastat | | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7-aminocholesterol | | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
primary amino compound | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrrolomycin a | | antibiotic antifungal agent;
C-nitro compound;
organochlorine compound;
pyrroles | antibacterial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| u-47929 | | alkaloid;
aziridines;
dipeptide;
pyrrolidines | antibacterial agent;
bacterial metabolite;
DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| actinodaphine | | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| my 12-62c | | monohydroxyquinoline;
quinolone | antibacterial agent;
iron chelator;
metabolite;
signalling molecule | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| anacardic acid | | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-o-methyllicoricidin | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromodeoxytopsentin | | aromatic ketone;
bromoindole;
imidazoles;
indole alkaloid | antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vestitone | | (3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| conessine | | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| meropenem | | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| griseofulvin | | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ferruginol | | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium arsenite | | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| surfactin c | | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dibekacin | | kanamycins | antibacterial agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gancaonin I | | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,8-diprenylgenistein | | 7-hydroxyisoflavones | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycyrin | | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| licoricidin | | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| licocoumarone | | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl cinnamate | | methyl cinnamate | antibacterial agent;
fungal metabolite;
nematicide;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| o-methyl threonine | | ether;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid | antibacterial agent;
bleaching agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| helvolic acid | | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manool | | labdane diterpenoid;
tertiary alcohol | antibacterial agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quercetin | | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apigetrin | | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative | antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kaempferol | | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hexenal, z-isomer | | 2-hexenal | antibacterial agent;
flavouring agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isobavachalcone | | chalcones;
polyphenol | antibacterial agent;
metabolite;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| baicalein | | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| morin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| caffeic acid phenethyl ester | | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acteoside | | catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol | anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| veronicastroside | | disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plaunotol | | diterpenoid;
primary alcohol | anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sofalcone | | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fortimicin a | | amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabigerol | | phytocannabinoid;
resorcinols | anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kaempferol 3-o-rhamnoside | | glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | anti-inflammatory agent;
antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3'-di-o-methylquercetin | | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cudraflavone c | | tetrahydroxyflavone | antibacterial agent;
antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oridonin | | cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol | angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bay 11-7085 | | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,4'-dihydroxy-7,3'-dimethoxyflavone | | dihydroxyflavone;
dimethoxyflavone | anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ochnaflavone | | aromatic ether;
biflavonoid;
hydroxyflavone | anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxycordoin | | aromatic ether;
chalcones;
polyphenol | anti-inflammatory agent;
antibacterial agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| linolenyl alcohol | | long-chain primary fatty alcohol | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aurachin c | | C-type aurachin;
hydroxylamines;
organic heterobicyclic compound;
quinolone | antibacterial agent;
bacterial metabolite;
EC 1.8.5.4 (sulfide:quinone reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sophoraflavanone a | | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | antibacterial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cholesteryl arachidonate | | cholesteryl icosatetraenoate | antibacterial agent;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aureothin | | 4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorhexidine | | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 148083 | | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etimicin | | amino cyclitol glycoside;
aminoglycoside antibiotic | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubraxanthone | | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| holomycin | | acetamides;
dithiolopyrrolone antibiotic | antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fonsecinone a | | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol | antibacterial agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside | | beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins | antibacterial agent;
antifungal agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| laurinterol | | organobromine compound;
phenols;
sesquiterpenoid | antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diversonol | | phenols;
tertiary alcohol | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | | 1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles | antibacterial agent;
c-Jun N-terminal kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tyrocidine | | homodetic cyclic peptide;
macrocycle;
peptide antibiotic | antibacterial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromophycolide a | | diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol | anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-tuliposide b | | 6-O-acyl-D-glucose;
enoate ester | antibacterial agent;
antifungal agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etnangien | | hydroxy monocarboxylic acid;
macrolide antibiotic | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entrectinib | | benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dicranin | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tropodithietic acid | | cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound | antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jadomycin b | | glycoside;
jadomycin;
organic heteropentacyclic compound | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumimycin | | 1-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol | antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| equisetin | | enol;
octahydronaphthalenes;
primary alcohol;
tetramic acids | antibacterial agent;
fungal metabolite;
HIV-1 integrase inhibitor;
quorum sensing inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| epidermin | | macrocycle;
type A lantibiotic | antibacterial agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| surfactin A | | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| boromycin | | macrodiolide;
macrolide antibiotic;
organoboron compound;
oxaspiro compound;
zwitterion | anti-HIV agent;
antibacterial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mastoparan x | | mastoparans;
peptidyl amide | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| teixobactin | | cyclodepsipeptide;
macrocycle;
peptide antibiotic | antibacterial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aurachin a | | A-type aurachin;
furoquinoline;
quinoline N-oxide;
tertiary alcohol | antibacterial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tirapazamine | | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| althiomycin | | 1,3-thiazoles;
aldoxime;
ether;
gamma-lactam;
pentapeptide;
peptide antibiotic;
primary alcohol;
pyrroline;
secondary carboxamide;
tertiary carboxamide | antibacterial agent;
bacterial metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| undecylprodigiosin | | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methane | | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indoleacetamide | | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycocyamine | | guanidinoacetic acids;
zwitterion | bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indole-3-acetaldehyde | | indoleacetaldehyde | bacterial metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrous oxide | | gas molecular entity;
nitrogen oxide | analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-octanol | | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deferoxamine | | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dichlorobenzoic acid | | chlorobenzoic acid;
dichlorobenzene | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-aminophenol | | aminophenol | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kanamycin a | | kanamycins | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cycloheximide | | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tubercidin | | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylethyl ketone | | butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound | bacterial metabolite;
polar aprotic solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-di-tert-butylphenol | | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxybenzoic acid | | monohydroxybenzoic acid | bacterial metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoamylamine | | primary aliphatic amine | bacterial metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dodecanol | | dodecanol;
primary alcohol | bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-tridecanol | | long-chain primary fatty alcohol;
tridecanol | bacterial metabolite;
human metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methylbutanoic acid | | methylbutyric acid | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| D-tryptophan | | D-alpha-amino acid;
tryptophan zwitterion;
tryptophan | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ephedrine | | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxyphenyllactic acid | | 2-hydroxy carboxylic acid;
phenols | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-cyclocitral | | monoterpenoid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indole-3-carbaldehyde | | heteroarenecarbaldehyde;
indole alkaloid;
indoles | bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dipicolinic acid | | pyridinedicarboxylic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tropolone | | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| octadecane | | long-chain alkane | bacterial metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toyocamycin | | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside | antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-dimethylfuran | | furans | antifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nonanol | | nonanol;
secondary alcohol | bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrrolnitrin | | alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles | antifungal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetramethylpyrazine | | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-hydroxymyristic acid | | 3-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
long-chain fatty acid | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-diacetylphloroglucinol | | aromatic ketone;
benzenetriol;
diketone;
methyl ketone | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-dodecalactone | | gamma-lactone | bacterial metabolite;
fungal metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-ethylfuran | | furans;
volatile organic compound | bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-pentylfuran | | furans | Aspergillus metabolite;
bacterial metabolite;
flavouring agent;
human urinary metabolite;
insect repellent;
plant growth stimulator;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vidarabine | | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetylpyruvic acid | | beta-diketone;
dioxo monocarboxylic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethyldiselenide | | organoselenium compound | bacterial metabolite;
human xenobiotic metabolite;
mammalian metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3,5-trimethylpyrazine | | pyrazines | animal metabolite;
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-deoxynojirimycin | | 2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid | anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| daunorubicin | | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-anisaldehyde | | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetradecanal | | 2,3-saturated fatty aldehyde;
long-chain fatty aldehyde | bacterial metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| enterobactin | | catechols;
crown compound;
macrotriolide;
polyphenol | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| staurosporine | | indolocarbazole alkaloid;
organic heterooctacyclic compound | apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norvaline | | 2-aminopentanoic acid;
L-alpha-amino acid zwitterion | bacterial metabolite;
hypoglycemic agent;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-eicosanol | | icosanol;
secondary fatty alcohol | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfur | | elemental sulfur;
homomonocyclic compound | bacterial metabolite;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methylhydantoin | | imidazolidine-2,4-dione | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 12-aminododecanoic acid | | medium-chain fatty acid;
omega-amino fatty acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indole-3-carboxylic acid | | indol-3-yl carboxylic acid | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leupeptin | | aldehyde;
tripeptide | bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucosaminic acid | | amino acid zwitterion;
gluconic acid derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxysalicylic acid | | methoxysalicylic acid | bacterial metabolite;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxyphenylglycine | | hydroxy-amino acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orotidine | | nucleoside;
pyrimidinemonocarboxylic acid;
uridines | bacterial metabolite;
fungal metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methyl-3-hydroxyanthranilic acid | | aminobenzoic acid;
monohydroxybenzoic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetrangulol | | p-quinones;
phenols;
tetraphenes | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| poly-o-acetylserine | | acetate ester;
acetyl-L-serine;
amino acid zwitterion | bacterial metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-aminopimelic acid | | amino dicarboxylic acid;
non-proteinogenic alpha-amino acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lanthionine | | alanine derivative;
non-proteinogenic alpha-amino acid;
organic sulfide | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-n-methylamino-l-alanine | | diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound | bacterial metabolite;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tabtoxin | | dipeptide;
L-threonine derivative;
monobactam;
secondary alcohol | bacterial metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tabtoxinine beta-lactam | | beta-lactam antibiotic;
monobactam;
non-proteinogenic L-alpha-amino acid;
tertiary alpha-hydroxy ketone | apoptosis inducer;
bacterial metabolite;
EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetyltyramine | | acetamides;
tyramines | animal metabolite;
Aspergillus metabolite;
bacterial metabolite;
marine metabolite;
quorum sensing inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mannostatin a | | amino cyclitol;
methyl sulfide;
triol | bacterial metabolite;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
EC 3.2.1.24 (alpha-mannosidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-lipotropin, gln(9)- | | catechols;
crown compound;
macrocyclic lactone | bacterial metabolite;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tilivalline | | indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine | bacterial metabolite;
microtubule-stabilising agent;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,7-dihydroxytropolone | | alpha-hydroxy ketone;
cyclic ketone;
enol;
triol | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chrysobactin | | catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminoimidazole ribotide | | 1-(phosphoribosyl)imidazole;
aminoimidazole | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deferrioxamine e | | cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle | antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxy-5-cholestenoic acid | | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gabaculine | | 5-aminocyclohexa-1,3-diene-1-carboxylic acid | bacterial metabolite;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lanosterol | | 14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid | bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetylglucosamine | | N-acetyl-D-hexosamine;
N-acetylglucosamine | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetylneuraminic acid | | N-acetylneuraminic acids | antioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| D-leucine | | D-alpha-amino acid zwitterion;
D-alpha-amino acid;
leucine | bacterial metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xylobiose | | glycosylxylose | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pentostatin | | coformycins | antimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nanaomycin a | | benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yersiniabactin | | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trichostatin a | | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphoramidon | | deoxyaldohexose phosphate;
dipeptide | bacterial metabolite;
EC 3.4.24.11 (neprilysin) inhibitor;
EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyanoginosin lr | | microcystin | bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tacrolimus | | macrolide lactam | bacterial metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mupirocin | | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stigmatellin | | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzylideneacetone | | benzylideneacetone | bacterial metabolite;
EC 3.1.1.4 (phospholipase A2) inhibitor;
flavouring agent;
fragrance | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavin mononucleotide | | flavin mononucleotide;
vitamin B2 | bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-oxopiperidine-2-carboxylate | | delta-lactam;
monocarboxylic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orlistat | | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-ketogluconate | | keto-D-gluconic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclic 3',5'-uridine monophosphate | | 3',5'-cyclic pyrimidine nucleotide | bacterial metabolite;
mammalian metabolite;
signalling molecule | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| schizokinen | | 2-hydroxy carboxylic acid;
hydroxamic acid | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-hydroxybenzimidazole | | benzimidazoles;
phenols | bacterial metabolite;
human metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| t-muurolol | | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-oxododecanoyl)homoserine lactone | | N-(3-oxododecanoyl)homoserine lactone;
N-acyl-L-homoserine lactone | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coelichelin | | formamides;
hydroxamic acid;
tetrapeptide | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tylosin | | aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative | allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zeaxanthin | | carotenol | antioxidant;
bacterial metabolite;
cofactor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amphotericin b | | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clavulanic acid | | oxapenam | antibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| echinenone | | carotenone | animal metabolite;
bacterial metabolite;
cofactor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cembrene a | | cycloalkatriene;
diterpene;
macrocycle | animal metabolite;
bacterial metabolite;
coral metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| soraphen a | | cyclic hemiketal;
ether;
macrolide;
olefinic compound | bacterial metabolite;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| neomethymycin | | enone;
macrolide antibiotic;
monosaccharide derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methymycin | | enone;
macrolide antibiotic;
monosaccharide derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| narbomycin | | enone;
macrolide antibiotic;
monosaccharide derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| picromycin | | enone;
macrolide antibiotic;
monosaccharide derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 683590 | | ether;
lactol;
macrolide;
secondary alcohol | antifungal agent;
bacterial metabolite;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| turimycin | | leucomycin;
macrolide antibiotic | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| natamycin | | antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic | antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sirolimus | | 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-hydroxyadenine | | 6-aminopurines;
heteroaryl hydroxy compound;
nucleobase analogue;
oxopurine | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lasalocid | | beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
coccidiostat;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rhodopin | | carotenol;
tertiary alcohol | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spheroidenone | | carotenone | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spirilloxanthin | | carotenoid ether | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pederin | | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| virginiamycin factor s1 | | cyclodepsipeptide;
macrolide antibiotic | antibacterial drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cystothiazole a | | 1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic | antifungal agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pepstatin | | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetrodotoxin | | azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid | animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| filipin | | macrolide;
olefinic compound;
polyol | bacterial metabolite;
fluorescent probe | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bongkrekic acid | | ether;
olefinic compound;
tricarboxylic acid | apoptosis inhibitor;
ATP/ADP translocase inhibitor;
bacterial metabolite;
EC 2.5.1.18 (glutathione transferase) inhibitor;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bafilomycin a1 | | cyclic hemiketal;
macrolide antibiotic;
oxanes | apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sibiromycin | | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| microcystin rr | | microcystin;
organic molecular entity | bacterial metabolite;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aurachin b | | A-type aurachin;
heteroaryl hydroxy compound;
olefinic compound;
quinoline N-oxide | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bacterioruberin | | C50 carotenoid;
tertiary alcohol;
tetrol | bacterial metabolite;
biological pigment | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| elaiophylin | | lactol;
macrodiolide;
monosaccharide derivative | antifungal agent;
autophagy inhibitor;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rosaramicin | | aldehyde;
enone;
epoxide;
macrolide antibiotic;
monosaccharide derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fostriecin | | 2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ci 940 | | hydroxy polyunsaturated fatty acid;
leptomycin | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclo(leucyl-prolyl) | | dipeptide;
homodetic cyclic peptide;
pyrrolopyrazine | bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzamidoxime | | amidoxime | bacterial metabolite;
genotoxin;
mammalian metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triacsin c | | hydrazone;
nitroso compound;
olefinic compound | antimalarial;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| candicidin | | macrolide antibiotic;
polyene antibiotic | antifungal drug;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorobactene | | benzenes;
carotenoid phi-end group;
carotenoid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| levodione | | cyclohexanones | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phevalin | | benzenes;
pyrazinone | bacterial metabolite;
calpain inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 900848 | | cyclopropanes;
nucleoside analogue;
olefinic compound;
polyketide;
secondary carboxamide | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ossamycin | | cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myxochelin b | | benzamides;
catechols | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pentalenolactone f | | alpha,beta-unsaturated monocarboxylic acid;
organic heterotricyclic compound;
sesquiterpene lactone;
spiro-epoxide | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-hydroxyproline | | 3-hydroxyproline;
amino acid zwitterion;
D-proline derivative | bacterial metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chromopyrrolic acid | | indoles;
pyrroledicarboxylic acid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ym 216391 | | 1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| validoxylamine a | | amino cyclitol;
secondary amino compound | animal metabolite;
antibiotic insecticide;
bacterial metabolite;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zincophorin | | pyrans | bacterial metabolite;
ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methyltryptophan | | amino acid zwitterion;
L-tryptophan derivative | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adonixanthin | | carotenone;
cyclic ketone;
secondary alcohol | algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-hydroxyechinenone | | carotenone;
enone;
secondary alcohol | bacterial metabolite;
biological pigment;
cofactor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ly-146032 | | heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide | antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vanchrobactin | | catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol | bacterial metabolite;
marine metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| microcystin-lf | | microcystin | bacterial metabolite;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| decarbamylsaxitoxin | | alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine | bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiruchostatin b | | macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin | antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide c | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| albaflavenone | | carbocyclic antibiotic;
carbotricyclic compound;
cyclic terpene ketone;
enone;
sesquiterpenoid | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bacillithiol | | glycoside;
monosaccharide derivative;
thiol | antioxidant;
bacterial metabolite;
cofactor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zwittermicin a | | 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide;
peptide antibiotic | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide a | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| staphyloferrin b | | oxo carboxylic acid;
tertiary alcohol;
tricarboxylic acid amide;
tricarboxylic acid | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinolobactin | | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| staphyloferrin a | | D-ornithine derivative;
pentacarboxylic acid;
tertiary alcohol;
tricarboxylic acid amide | bacterial metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marinoquinoline a | | pyrroloquinoline | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| opt 80 | | carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols | antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acarbose | | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chondramide d | | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-tuberculosinyladenosine | | organic cation | bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclooctatin | | carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scytonemin | | enone;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
polyphenol;
ring assembly | bacterial metabolite;
biological pigment;
ultraviolet filter | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cerulomycin | | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tilimycin | | phenols;
pyrrolobenzodiazepine | alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |