"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00007675 , 50% or more
[ Metabolite Name : Isothiocyanate ]
Number of matched data : 82

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00032761 Benzyl isothiocyanate
Phenylmethyl isothiocyanate		 100.00
C00002725 Cinnamaldehyde 90.00
C00035115 3-Phenylpropanol
Benzenepropanol
Hydrocinnamic alcohol		 90.00
C00035187 (E)-Cinnamaldehyde
trans-Cinnamaldehyde		 90.00
C00042226 Amphetamine 90.00
C00042390 Cinnamic alcohol
Cinnamyl alcohol		 90.00
C00042776 N-Methyl-beta-phenethylamine 90.00
C00007672 Phenylacetothiohydroximate 86.36
C00000211 Phenylglyoxal 85.00
C00000621 Chavicol
p-Hydroxyallylbenzene		 85.00
C00000750 Phenylacetic acid
alpha-Phenylacetate		 85.00
C00001426 Phenethylamine 85.00
C00001435 Tyramine 85.00
C00002636 Anisaldehyde
p-Anisaldehyde		 85.00
C00007327 Phenylacetaldoxime 85.00
C00007546 Methylbenzoate 85.00
C00010974 alpha-Cymene
o-Cymol
0-Isopropyltoluene
1-Isopropyl-2-methylbenzene
o-Cymene
2-Isopropyltoluene		 85.00
C00029809 Benzenepropanenitrile 85.00
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol		 85.00
C00034054 Methyl benzoate 85.00
C00000157 4-Phenylbutan-2-one 81.82
C00000170 Cinnamate
trans-Cinnamic acid
trans-Cinnamate		 81.82
C00000613 p-Coumaryl alcohol 81.82
C00001405 Cathine
D-Cathine		 81.82
C00001406 D-Cathinone 81.82
C00007625 2-Phenylethylaldoxime 81.82
C00027432 N-Methyltyramine 81.82
C00029961 Cinnamic acid
(E)-Cinnamic acid
.beta-Phenylacrylic acid		 81.82
C00031014 p-Coumaraldehyde
4-Hydroxycinnamaldehyde
p-Hydroxycinnamaldehyde
p-Coumaroyl aldehyde		 81.82
C00035535 Benzyl acetate 81.82
C00042732 Methamphetamine
(+)-Methamphetamine		 81.82
C00042759 N,N-Dimethylphenethylamine 81.82
C00042852 p-Hydroxyamphetamine 81.82
C00049061 1,2-Dihydroisoquinoline 80.95
C00000206 Salicylic acid
2-Carboxyphenol
Saligel
Salonil
o-Hydroxybenzoic acid		 80.00
C00001418 Indole 80.00
C00002663 2-Phenylethanol
2-Phenylethyl alcohol
Phenethyl alcohol
Phenylethyl alcohol
beta-Phenethyl alcohol
Benzyl ethyl alcohol
Benzeneethanol		 80.00
C00007382 Anthranilic acid
Anthranilate		 80.00
C00007535 Benzeneacetaldehyde
Phenylacetaldehyde
Phenylacetic aldehyde		 80.00
C00007674 Phenylacetonitrile 80.00
C00029515 2-(4-Hydroxyphenyl)ethanol
4-(2-Hydroxyethyl)phenol
p-Hydroxyphenethyl alcohol
p-Tyrosol
Tyrosol
2-(p-Hydroxyphenyl)ethanol		 80.00
C00029532 4-Hydroxy-benzeneacetonitrile
p-Hydroxyphenylacetonitrile
4-Hydroxybenzyl cyanide		 80.00
C00036386 1,4-Dimethoxybenzene
1,4-Dimethoxy benzene		 80.00
C00038256 3-Hydroxymethylphenol 80.00
C00042277 Benzamide 80.00
C00043309 Benzylamine 80.00
C00048326 Benzene acetonitrile 80.00
C00048498 n-Phenylformamide 80.00
C00026235 4-Methylquinazoline 78.26
C00000486 6-Methylsalicylic acid
6MSA		 77.27
C00001425 Octopamine 77.27
C00002658 2-Hydroxymethylbenzoic acid 77.27
C00002713 Anethole
(E)-Anethole		 77.27
C00002740 Estragol
Methyl chavicol
Estragole
Esdragol		 77.27
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde		 77.27
C00010858 4-Isopropenylbenzaldehyde 77.27
C00017789 SQ 30957 77.27
C00018213 p-Hydroxyphenylacetaldoxime 77.27
C00029334 trans-Anethol
(E)-Anethol
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole		 77.27
C00030751 Methylparaben
p-Methoxycarbonylphenol
Methyl 4-hydroxybenzoate		 77.27
C00030767 Methyl salicylate 77.27
C00030771 CID is old! 77.27
C00030975 p-Formylbenzoic acid 77.27
C00031420 trans-p-Coumaryl alcohol 77.27
C00031422 trans-p-Hydroxycinnamaldehyde 77.27
C00034600 Methyl anthranilate 77.27
C00034743 Z-Cinnamic acid
cis-Cinnamic acid		 77.27
C00036387 1,4-p-Menthadien-7-ol 77.27
C00036597 5-Hydroxy-2-methoxy benzaldehyde 77.27
C00037426 L-Mandelic acid
L-(+)-Mandelic acid		 77.27
C00037604 p-Cymen-9-ol 77.27
C00042066 2,4-Dichlorobenzoic acid 77.27
C00044054 2-Hydroxy-3-methylbenzoic acid 77.27
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol		 77.27
C00044826 Isovanillin 77.27
C00044952 N-Butylbenzenamine 77.27
C00046051 CID is old! 77.27
C00047056 CID is old! 77.27
C00047668 CID is old! 77.27
C00048938 1-Nitro-2-phenylethane 77.27
C00049046 CID is old! 77.27
C00049943 3'-Bromotyramine 77.27
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