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


and

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





INPUT WORD = C00029809 , 50% or more
[ Metabolite Name : Benzenepropanenitrile ]
Number of matched data : 68

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00000621 Chavicol
p-Hydroxyallylbenzene
90.00
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
C00007625 2-Phenylethylaldoxime 86.36
C00002663 2-Phenylethanol
2-Phenylethyl alcohol
Phenethyl alcohol
Phenylethyl alcohol
beta-Phenethyl alcohol
Benzyl ethyl alcohol
Benzeneethanol
85.00
C00007327 Phenylacetaldoxime 85.00
C00007535 Benzeneacetaldehyde
Phenylacetaldehyde
Phenylacetic aldehyde
85.00
C00007674 Phenylacetonitrile 85.00
C00007675 Isothiocyanate 85.00
C00010967 beta-Cymene
m-Cymene
1-Methyl-3-(1-methylethyl)benzene
1-Isopropyl-3-methylbenzene
85.00
C00010974 alpha-Cymene
o-Cymol
0-Isopropyltoluene
1-Isopropyl-2-methylbenzene
o-Cymene
2-Isopropyltoluene
85.00
C00029515 2-(4-Hydroxyphenyl)ethanol
4-(2-Hydroxyethyl)phenol
p-Hydroxyphenethyl alcohol
p-Tyrosol
Tyrosol
2-(p-Hydroxyphenyl)ethanol
85.00
C00029532 4-Hydroxy-benzeneacetonitrile
p-Hydroxyphenylacetonitrile
4-Hydroxybenzyl cyanide
85.00
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol
85.00
C00032761 Benzyl isothiocyanate
Phenylmethyl isothiocyanate
85.00
C00039027 2,3-Dihydrobenzofuran
Dihydrobenzofuran
85.00
C00044062 4-Ethoxyphenol 85.00
C00048326 Benzene acetonitrile 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
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
C00034140 p-Hydroxymandelonitrile 81.82
C00034600 Methyl anthranilate 81.82
C00035930 3-Bromo-4-hydroxyphenylacetonitrile 81.82
C00042732 Methamphetamine
(+)-Methamphetamine
81.82
C00042759 N,N-Dimethylphenethylamine 81.82
C00042852 p-Hydroxyamphetamine 81.82
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol
81.82
C00044952 N-Butylbenzenamine 81.82
C00047668 CID is old! 81.82
C00001430 Skatole 80.95
C00000211 Phenylglyoxal 80.00
C00000750 Phenylacetic acid
alpha-Phenylacetate
80.00
C00001426 Phenethylamine 80.00
C00001435 Tyramine 80.00
C00007546 Methylbenzoate 80.00
C00029528 4-Ethylphenol 80.00
C00034054 Methyl benzoate 80.00
C00037855 Styrene 80.00
C00040821 3'-Hydroxyacetophenone 80.00
C00000156 Carvacrol 77.27
C00001425 Octopamine 77.27
C00002713 Anethole
(E)-Anethole
77.27
C00002740 Estragol
Methyl chavicol
Estragole
Esdragol
77.27
C00007672 Phenylacetothiohydroximate 77.27
C00010858 4-Isopropenylbenzaldehyde 77.27
C00018213 p-Hydroxyphenylacetaldoxime 77.27
C00029334 trans-Anethol
(E)-Anethol
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole
77.27
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol
77.27
C00031420 trans-p-Coumaryl alcohol 77.27
C00031422 trans-p-Hydroxycinnamaldehyde 77.27
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol
77.27
C00034743 Z-Cinnamic acid
cis-Cinnamic acid
77.27
C00035535 Benzyl acetate 77.27
C00036387 1,4-p-Menthadien-7-ol 77.27
C00037426 L-Mandelic acid
L-(+)-Mandelic acid
77.27
C00037604 p-Cymen-9-ol 77.27
C00048938 1-Nitro-2-phenylethane 77.27
C00049943 3'-Bromotyramine 77.27
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