| Synonym |
|---|
| 3-hexen-1-ol, 1-acetate |
| einecs 216-965-8 |
| LS-13476 |
| 3e-hexenyl acetate |
| 1708-82-3 |
| CHEBI:180297 |
| [(e)-hex-3-enyl] acetate |
| 3-hexen-1-ol, acetate, (e)- |
| (3e)-3-hexenyl acetate |
| 3-hexenylacetate |
| hex-3-enyl acetate |
| LMFA07010179 |
| AKOS006229485 |
| AM806731 |
| 3-hexenyl acetate |
| 3-hexen-1-ol, acetate, (3e)- |
| e556g2eozd , |
| 3-hexenyl acetate, (3e)- |
| trans-3-hexenyl acetate |
| 3681-82-1 |
| einecs 222-962-2 |
| 3-hexen-1-ol, 1-acetate, (3e)- |
| unii-e556g2eozd |
| ai3-33358 |
| (e)-hex-3-enyl acetate |
| 3-hexen-1-ol,1-acetate, (3e)- |
| SCHEMBL316945 |
| SCHEMBL113310 |
| (e)-3-hexen-1-ol acetate |
| fema no. 4413 |
| (e)-3-hexenyl acetate |
| trans-3-hexenyl acetate [fhfi] |
| 3-hexenyl acetate, trans- |
| trans-3-hexen-1-ol acetate |
| (e)-3-hexen-1-yl acetate |
| acetic acid trans-3-hexenyl ester |
| (e)-hex-3-en-1-yl acetate |
| (3e)-hexenyl acetate |
| NPFVOOAXDOBMCE-SNAWJCMRSA-N |
| (e)-3-hexenol acetate |
| (3e)-3-hexenyl acetate # |
| trans-3-hexen-1-ol, acetate |
| (e)-hex-3-enol acetate |
| acetate(e)-3-hexen-1-ol |
| 1-acetate(3e)-3-hexen-1-ol |
| acetate(3e)-3-hexen-1-ol |
| hexenyl acetate (3e-) |
| Q27276882 |
| DTXSID00880889 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| acemetacin | | carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camostat | | benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor | 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 |
| cyclopentolate | | carboxylic ester;
tertiary alcohol;
tertiary amino compound | diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dicyclomine | | carboxylic ester;
tertiary amine | antispasmodic drug;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenvalerate | | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavoxate | | carboxylic ester;
flavones;
piperidines;
tertiary amino compound | antispasmodic drug;
muscarinic antagonist;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fpl 64176 | | carboxylic ester;
pyrroles | calcium channel agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glafenine | | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxybutynin | | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proglumetacin | | aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethylhexyladipate | | carboxylic ester;
dicarboxylic acids and O-substituted derivatives;
diester | plasticiser | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| citronellyl formate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lauryl acetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-butyl lactate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triflusal | | benzoic acids;
carboxylic ester;
salicylates | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrosomethylurethane | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diloxanide furoate | | carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide | antiamoebic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tocamphyl | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dioctyl adipate | | carboxylic ester | | 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 |
| nitazoxanide | | benzamides;
carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluazifop-butyl | | aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines | | 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 |
| Phenylmethyl benzeneacetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylphenylcarbinyl acetate | | carboxylic ester | | 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 |
| xanthoxyline | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosiben | | benzoic acids;
carboxylic ester;
salicylates | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4,6-trihydroxybenzaldehyde | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aceclofenac | | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | 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 |
| serpentine (alkaloid) | | carboxylic ester;
iminium betaine;
indole alkaloid;
quinolizines;
zwitterion | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indicine | | carboxylic ester;
pyrrolizines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clodinafop-propargyl | | aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines | agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cloquintocet-mexyl | | aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl 5-nitro-2-furoate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| efonidipine | | C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitroflurbiprofen | | biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone | | carboxylic ester;
diazo compound;
L-phenylalanine derivative;
secondary carboxamide | cathepsin L (EC 3.4.22.15) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefotiam hexetil | | carboxylic ester | prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| celastrol methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulochrin | | benzophenones;
carboxylic ester;
phenols | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperphenamate | | benzamides;
carboxylic ester;
L-phenylalanine derivative | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bifenazate | | carboxylic ester | acaricide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dabigatran etexilate | | aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Tautomycin | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucarubinone | | carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol | antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glaucolide b | | carboxylic ester;
ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| agrimophol | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| [(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate | | carbotricyclic compound;
carboxylic ester;
cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valnemulin | | carbotricyclic compound;
carboxylic ester;
cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| colforsin daropate | | acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound | adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kt 5720 | | carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor | 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 |
| 5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| transfluthrin | | carboxylic ester;
cyclopropanes;
organochlorine compound;
organofluorine compound | pyrethroid ester insecticide | 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 |
| 2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester | | carboxylic ester | | 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 |
| 6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mycophenolate mofetil | | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-o-caffeoylshikimic acid | | alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| metofluthrin | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | | carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rosmarinic acid | | carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol | antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 11-tetradecenyl acetate | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| crotoxyphos | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| resiniferatoxin | | carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone | analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bifenthrin | | carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound | pyrethroid ester acaricide;
pyrethroid ester insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefpodoxime proxetil | | carboxylic acid;
carboxylic ester;
cephalosporin | antibacterial drug;
prodrug | 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 |
| 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 |
| retapamulin | | carbotricyclic compound;
carboxylic ester;
cyclic ketone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-Chloro-3-pyridinyl 2-furoate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| capsiate | | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naproxen-n-butyl nitrate | | carboxylic ester;
methoxynaphthalene;
nitrate ester | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer | | carbotricyclic compound;
carboxylic ester;
cyclic ketone | | 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 |
| vibrioferrin | | carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid | marine metabolite;
siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kalopanax saponin b | | carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| batzelladine a | | alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene | anti-HIV-1 agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosedostat | | carboxylic ester;
hydroxamic acid;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-Bromopyridin-3-yl furan-2-carboxylate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate | | carboxylic ester | anticoronaviral agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cauloside D | | carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(alpha)-acetylfusarinines | | 2,5-diketopiperazines;
acetamides;
carboxylic ester;
homoallylic alcohol;
hydroxamic acid;
primary alcohol | siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| madecassoside | | carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin | anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester | | carboxylic ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| integric acid | | carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid | HIV-1 integrase inhibitor;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| jq1 compound | | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer | 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 |
| 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 |
| ap20187 | | aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound | ligand | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 8932 | | aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tak 491 | | 1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane | angiotensin receptor antagonist;
antihypertensive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dabigatran etexilate | | aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug | 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 |
|---|
| acetic acid | | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| acetaldehyde | | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent | 2004 | 2013 | 14.7 | low | 0 | 0 | 0 | 1 | 2 | 0 |
| benzaldehyde | | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite | 2004 | 2015 | 13.3 | low | 0 | 0 | 0 | 1 | 2 | 0 |
| salicylic acid | | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-aminocyclopropane-1-carboxylic acid | | amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid | ethylene releasers;
plant metabolite | 2001 | 2001 | 23.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| indole | | indole;
polycyclic heteroarene | Escherichia coli metabolite | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| phenylacetaldehyde | | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 2004 | 2013 | 15.5 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| 1-anilino-8-naphthalenesulfonate | | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| methyl salicylate | | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite | 2005 | 2015 | 13.2 | low | 0 | 0 | 0 | 2 | 4 | 0 |
| sucrose | | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| n-pentanol | | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite | 2012 | 2015 | 10.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| linalool | | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component | 2004 | 2019 | 13.6 | low | 0 | 0 | 0 | 4 | 4 | 0 |
| alpha-pinene | | pinene | plant metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| methyl benzoate | | benzoate ester;
methyl ester | insect attractant;
metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 3,7-dimethyloctan-1-ol | | aliphatic alcohol | | 2016 | 2016 | 8.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| 1-hexanol | | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite | 2005 | 2017 | 12.0 | low | 0 | 0 | 0 | 3 | 5 | 0 |
| 3-hydroxy-3-methylbutene | | olefinic compound;
tertiary alcohol | animal metabolite;
fragrance;
pheromone;
plant metabolite | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| citronellol | | monoterpenoid | plant metabolite | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| cyclopentane | | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent | 2001 | 2015 | 14.6 | low | 0 | 0 | 0 | 4 | 3 | 0 |
| 3-hexen-1-ol | | alkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound | plant metabolite | 2005 | 2017 | 12.0 | medium | 0 | 0 | 0 | 3 | 5 | 0 |
| 1-octen-3-ol | | alkenyl alcohol;
medium-chain fatty alcohol | antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component | 2011 | 2011 | 13.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| phenyl acetate | | benzenes;
phenyl acetates | | 2001 | 2023 | 12.2 | high | 0 | 0 | 0 | 17 | 25 | 4 |
| myrcene | | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| isoamyl acetate | | acetate ester | metabolite;
Saccharomyces cerevisiae metabolite | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| alkenes | | | | 2001 | 2015 | 13.4 | low | 0 | 0 | 0 | 2 | 6 | 0 |
| deoxynivalenol | | cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol | mycotoxin | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| glucose, (beta-d)-isomer | | D-glucopyranose | epitope;
mouse metabolite | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 4,8-dimethyl-1,3,7-nonatriene | | | | 2011 | 2012 | 12.7 | medium | 0 | 0 | 0 | 0 | 3 | 0 |
| hydroxyl radical | | oxygen hydride;
oxygen radical;
reactive oxygen species | | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| singlet oxygen | | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 4,8,12-trimethyl-1,3,7,11-tridecatetraene | | | | 2011 | 2012 | 12.7 | high | 0 | 0 | 0 | 0 | 3 | 0 |
| erythritol | | butane-1,2,3,4-tetrol | antioxidant;
human metabolite;
plant metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 2-c-methylerythritol 4-phosphate | | tetritol phosphate | Escherichia coli metabolite | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| iridoids | | | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| geraniol | | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component | 2011 | 2016 | 10.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| citral | | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| 3-hexenal | | | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| sesquiterpenes | | | | 2007 | 2012 | 13.7 | low | 0 | 0 | 0 | 2 | 4 | 0 |
| Jasmone | | cyclic ketone | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| 12-oxophytodienoic acid | | carbocyclic fatty acid;
olefinic fatty acid;
oxo carboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| alpha-linolenic acid | | linolenic acid;
omega-3 fatty acid | micronutrient;
mouse metabolite;
nutraceutical | 2008 | 2008 | 16.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| jasmonic acid | | oxo monocarboxylic acid | jasmonates;
plant metabolite | 2001 | 2023 | 14.6 | low | 0 | 0 | 0 | 4 | 0 | 1 |
| 2-hexenal, z-isomer | | 2-hexenal | antibacterial agent;
flavouring agent;
plant metabolite | 2005 | 2017 | 12.2 | low | 0 | 0 | 0 | 1 | 3 | 0 |
| alpha-farnesene | | alpha-farnesene | | 2007 | 2011 | 15.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
| nerolidol | | nerolidol | | 2012 | 2012 | 12.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| beta-ocimene | | beta-ocimene | plant metabolite | 2001 | 2015 | 13.8 | low | 0 | 0 | 0 | 2 | 3 | 0 |
| caryophyllene | | | | 2011 | 2012 | 12.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| solanesol | | nonaprenol;
primary alcohol | plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
| methyl jasmonate | | | | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| salicylates | | monohydroxybenzoate | plant metabolite | 2005 | 2015 | 13.2 | low | 0 | 0 | 0 | 2 | 4 | 0 |
| catalpol | | | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |