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


and

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




INPUT WORD = C00003062 , 50% or more
[ Metabolite Name : beta-Thujaplicin ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011009 beta-Dolabrin 100.00
C00003063 gamma-Thujaplicin 95.83
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin		 95.83
C00011000 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone 92.31
C00010843 Macropone 91.67
C00011012 4-Isopropyl-2,4,6-cycloheptatrien-1-one
Nezukone		 91.67
C00011001 Pygmaein 88.46
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin		 87.50
C00007511 Caffeoyl aldehyde
Caffeic aldehyde
3,4-Dihydroxycinnamaldehyde
Caffeylaldehyde		 87.50
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 87.50
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
Thymohydroquinone		 87.50
C00010864 Cymorcin 87.50
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione		 87.50
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 87.50
C00030934 p-Cymene-2,3-diol 87.50
C00032636 3,4-Dimethoxy-styrene
3,4-Dimethoxystyrene		 87.50
C00032695 Acetoisovanillone
Isoacetovanillone		 87.50
C00036581 4-Isopropylbenzoic acid
cumic acid		 87.50
C00040158 RKB 3564S 87.50
C00011002 Isopygmaein 85.71
C00010909 5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
NSC 379495		 84.62
C00011010 alpha-Dolabrinol 84.62
C00010727 Viburtinal 84.00
C00026451 Jineol 84.00
C00000156 Carvacrol 83.33
C00001424 Noradrenaline
L-Noradrenaline
Norepinephrine
(-)-Norepinephrine		 83.33
C00002682 Vanillic acid
3-Methoxy-4-hydroxybenzoic acid		 83.33
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde		 83.33
C00007310 Caffeyl alcohol 83.33
C00010319 Perilla ketone
1-(3-Furanyl)-4-methyl-1-pentanone		 83.33
C00010328 Isoegomaketone 83.33
C00010858 4-Isopropenylbenzaldehyde 83.33
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol		 83.33
C00010918 (1R-trans)-1-Methyl-4-(1-methylethyl)-4-cyclohexene-1,2-diol 83.33
C00029306 (+)-Rhododendrol 83.33
C00029502 3-Hydroxy-4-methoxybenzoic acid
Isovanillic acid		 83.33
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol		 83.33
C00031551 3-(3,4-Dihydroxyphenyl)-1-propanol 83.33
C00032617 2,5-Dihydroxy-4-methylacetophenone 83.33
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol		 83.33
C00035454 1,3,5-Trimethoxybenzene 83.33
C00036387 1,4-p-Menthadien-7-ol 83.33
C00040742 (-)-Rhododendrol 83.33
C00040996 3,4-Dihydroxybenzeneacetic acid
Homoprotocatechuic acid		 83.33
C00041092 4-(4-Hydroxyphenyl)-2-butanone
Rheosmin		 83.33
C00042777 N-Methyldopamine 83.33
C00048139 Speciosin G 83.33
C00015976 Cordytropolone 81.48
C00021948 Dihydropalutropone 81.48
C00031466 (4S)-4,8-Dihydroxy-alpha-tetralone 81.48
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