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


and

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





INPUT WORD = C00001406 , 50% or more
[ Metabolite Name : D-Cathinone ]
Number of matched data : 85

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001405 Cathine
D-Cathine
100.00
C00042852 p-Hydroxyamphetamine 95.45
C00001409 L-Ephedrine
Ephedrine
1(R),2(S)-erythro-(-)-Ephedrine
(-)-Ephedrine
91.67
C00031097 (+)-Pseudoephedrine
D-pseudoephedrine
Pseudoephedrine
trans-Ephedrine
91.67
C00007625 2-Phenylethylaldoxime 90.91
C00007672 Phenylacetothiohydroximate 90.91
C00035535 Benzyl acetate 90.91
C00037426 L-Mandelic acid
L-(+)-Mandelic acid
90.91
C00042226 Amphetamine 90.91
C00042732 Methamphetamine
(+)-Methamphetamine
90.91
C00001354 L-2,5-Dihydrophenylalanine 87.50
C00001386 L-Phenylalanine
L-Phe
Phenylalanine
87.50
C00042859 p-Methoxyamphetamine 87.50
C00044988 p-(Acetylamino)benzyl alcohol 87.50
C00000211 Phenylglyoxal 86.36
C00000613 p-Coumaryl alcohol 86.36
C00001425 Octopamine 86.36
C00001435 Tyramine 86.36
C00002658 2-Hydroxymethylbenzoic acid 86.36
C00002725 Cinnamaldehyde 86.36
C00007327 Phenylacetaldoxime 86.36
C00007546 Methylbenzoate 86.36
C00018213 p-Hydroxyphenylacetaldoxime 86.36
C00027432 N-Methyltyramine 86.36
C00029961 Cinnamic acid
(E)-Cinnamic acid
.beta-Phenylacrylic acid
86.36
C00031014 p-Coumaraldehyde
4-Hydroxycinnamaldehyde
p-Hydroxycinnamaldehyde
p-Coumaroyl aldehyde
86.36
C00031420 trans-p-Coumaryl alcohol 86.36
C00031422 trans-p-Hydroxycinnamaldehyde 86.36
C00034054 Methyl benzoate 86.36
C00034600 Methyl anthranilate 86.36
C00035115 3-Phenylpropanol
Benzenepropanol
Hydrocinnamic alcohol
86.36
C00035187 (E)-Cinnamaldehyde
trans-Cinnamaldehyde
86.36
C00042390 Cinnamic alcohol
Cinnamyl alcohol
86.36
C00044952 N-Butylbenzenamine 86.36
C00048938 1-Nitro-2-phenylethane 86.36
C00032016 Methylephedrine
(-)-Methylephedrine
N-Methylephedrine
84.62
C00032017 Methylpseudoephedrine
(1S,2S)-N-Methylpseudoephedrine
(+)-Methylpseudoephedrine
84.62
C00023598 4-(Hydroxymethyl)-2-methylindole 84.00
C00026885 CID is old! 84.00
C00000150 D-beta-Phenyllactic acid 83.33
C00001424 Noradrenaline
L-Noradrenaline
Norepinephrine
(-)-Norepinephrine
83.33
C00029478 3,4'-Dihydroxypropiophenone
4-Hydroxy-(3-hydroxypropionyl)benzene
83.33
C00033557 CID is old! 83.33
C00034453 Benzyl propionate 83.33
C00040158 RKB 3564S 83.33
C00000112 Indole-3-carboxaldehyde
Indole-3-carboxyaldehyde
1H-Indole-3-carboxaldehyde
82.61
C00026981 Isatin 82.61
C00041598 Indole-3-methanol
Indole-3-carbinol
82.61
C00000155 m-Thymol
Thymol
81.82
C00000157 4-Phenylbutan-2-one 81.82
C00000170 Cinnamate
trans-Cinnamic acid
trans-Cinnamate
81.82
C00000750 Phenylacetic acid
alpha-Phenylacetate
81.82
C00001426 Phenethylamine 81.82
C00002636 Anisaldehyde
p-Anisaldehyde
81.82
C00002685 Acetophenone
methyl phenyl ketone
Hypnone
81.82
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde
81.82
C00007557 o-Hydroxylaminobenzoate 81.82
C00007675 Isothiocyanate 81.82
C00010858 4-Isopropenylbenzaldehyde 81.82
C00010967 beta-Cymene
m-Cymene
1-Methyl-3-(1-methylethyl)benzene
1-Isopropyl-3-methylbenzene
81.82
C00029532 4-Hydroxy-benzeneacetonitrile
p-Hydroxyphenylacetonitrile
4-Hydroxybenzyl cyanide
81.82
C00029536 4-Methoxybenzoic acid
p-Anisic acid
Anisic acid
p-Methoxybenzoic acid
81.82
C00029809 Benzenepropanenitrile 81.82
C00030751 Methylparaben
p-Methoxycarbonylphenol
Methyl 4-hydroxybenzoate
81.82
C00030767 Methyl salicylate 81.82
C00030771 CID is old! 81.82
C00030933 p-Cymen-8-ol 81.82
C00030975 p-Formylbenzoic acid 81.82
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol
81.82
C00032761 Benzyl isothiocyanate
Phenylmethyl isothiocyanate
81.82
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol
81.82
C00034140 p-Hydroxymandelonitrile 81.82
C00034743 Z-Cinnamic acid
cis-Cinnamic acid
81.82
C00036387 1,4-p-Menthadien-7-ol 81.82
C00036597 5-Hydroxy-2-methoxy benzaldehyde 81.82
C00037604 p-Cymen-9-ol 81.82
C00040821 3'-Hydroxyacetophenone 81.82
C00041076 p-Anisate 81.82
C00042759 N,N-Dimethylphenethylamine 81.82
C00042776 N-Methyl-beta-phenethylamine 81.82
C00044491 Acetaminophen 81.82
C00044826 Isovanillin 81.82
C00046051 CID is old! 81.82
C00047056 CID is old! 81.82
C00049046 CID is old! 81.82
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