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


and

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





INPUT WORD = C00011000 , 50% or more
[ Metabolite Name : 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011002 Isopygmaein 92.86
C00003062 beta-Thujaplicin 92.31
C00011001 Pygmaein 92.31
C00011009 beta-Dolabrin 92.31
C00011010 alpha-Dolabrinol 92.31
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin
92.31
C00003063 gamma-Thujaplicin 88.46
C00002694 2',6'-Dihydroxy-4'-methoxyacetophenone 84.62
C00010843 Macropone 84.62
C00011012 4-Isopropyl-2,4,6-cycloheptatrien-1-one
Nezukone
84.62
C00015694 Fistupyrone 84.62
C00030934 p-Cymene-2,3-diol 84.62
C00035473 2,4,6-Trimethoxyphenol 84.62
C00036577 4-Hydroxy-3,5-dimethoxybenzyl alcohol 84.62
C00037524 Multiflotriol 84.62
C00042138 4-Hydroxy-2,3-dimethoxybenzaldehyde 84.62
C00042774 N-Methyl-3,4,5-trihydroxyphenethylamine 84.62
C00043190 3-Formyl-6-hydroxy-2,4,4-trimethyl-2,5-cyclohexadien-1-one
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde
84.62
C00043412 Crocusatin I 84.62
C00007337 5-Hydroxyconiferyl alcohol
5H-coniferyl alcohol
82.14
C00007611 5-Hydroxyconiferyl aldehyde 82.14
C00015976 Cordytropolone 81.48
C00021948 Dihydropalutropone 81.48
C00031466 (4S)-4,8-Dihydroxy-alpha-tetralone 81.48
C00045185 5-Hydroxy-3-(2-hydroxyethyl)-indole 81.48
C00002637 3,4,5-Trimethoxyphenol
Antiarol
80.77
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin
80.77
C00002704 Paeonol 80.77
C00007511 Caffeoyl aldehyde
Caffeic aldehyde
3,4-Dihydroxycinnamaldehyde
Caffeylaldehyde
80.77
C00007558 Syringaldehyde
4-Hydroxy-3,5-dimethoxybenzaldehyde
80.77
C00010429 2-Chloro-1hydroxy-3(8),5-ochtodien-4-one 80.77
C00010727 Viburtinal 80.77
C00010813 (+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol 80.77
C00010866 3-Methoxy-p-cymene
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
2-Isopropyl-5-methylanisole
Thymol methyl ether
Methyl thymyl ether
80.77
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 80.77
C00010909 5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
NSC 379495
80.77
C00017929 3,4-Dihydroxytropolone
BMY 28438
80.77
C00018324 Siccayne 80.77
C00019469 4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol 80.77
C00026451 Jineol 80.77
C00029479 3,4-dimethoxybenzoic acid
Veratric acid
80.77
C00029643 Adrenaline
Adrenalin
80.77
C00031089 Methyl protocatechuate
Protocatechuic acid methyl ester
80.77
C00032636 3,4-Dimethoxy-styrene
3,4-Dimethoxystyrene
80.77
C00032695 Acetoisovanillone
Isoacetovanillone
80.77
C00032950 Ethyl 3,4-dihydroxybenzoate
Ethyl protocatechuate
Ethyl 3,4-Dihydroxybenzoate
80.77
C00035926 CID is old! 80.77
C00036581 4-Isopropylbenzoic acid
cumic acid
80.77
C00037562 Normetanephrine 80.77
C00040158 RKB 3564S 80.77
C00040794 2,6-Dimethoxy-benzoic acid 80.77
C00041329 Alcalinaphenol A 80.77
C00042105 3,4-Dimethoxyphenethylamine 80.77
C00044447 3-Bromo-4,5-dihydroxybenzoic acid methyl ester 80.77
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