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


and

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





INPUT WORD = C00003063 , 50% or more
[ Metabolite Name : gamma-Thujaplicin ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003062 beta-Thujaplicin 95.83
C00011009 beta-Dolabrin 95.83
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin
95.83
C00011012 4-Isopropyl-2,4,6-cycloheptatrien-1-one
Nezukone
91.67
C00011000 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone 88.46
C00000619 Eugenol 87.50
C00000620 Isoeugenol 87.50
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin
87.50
C00010843 Macropone 87.50
C00010866 3-Methoxy-p-cymene
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
2-Isopropyl-5-methylanisole
Thymol methyl ether
Methyl thymyl ether
87.50
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione
87.50
C00029478 3,4'-Dihydroxypropiophenone
4-Hydroxy-(3-hydroxypropionyl)benzene
87.50
C00030934 p-Cymene-2,3-diol 87.50
C00033557 CID is old! 87.50
C00035095 E-Isoeugenol
trans-Isoeugenol
87.50
C00036581 4-Isopropylbenzoic acid
cumic acid
87.50
C00011001 Pygmaein 84.62
C00018324 Siccayne 84.62
C00002753 Isosafrole 84.00
C00002771 Safrole 84.00
C00010727 Viburtinal 84.00
C00026451 Jineol 84.00
C00002682 Vanillic acid
3-Methoxy-4-hydroxybenzoic acid
83.33
C00002704 Paeonol 83.33
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde
83.33
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 83.33
C00010858 4-Isopropenylbenzaldehyde 83.33
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
Thymohydroquinone
83.33
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 83.33
C00029502 3-Hydroxy-4-methoxybenzoic acid
Isovanillic acid
83.33
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol
83.33
C00029546 4-Vinyl guaiacol
p-Vinylguaiacol
Varamol 106
2-Methoxy-4-vinylphenol
83.33
C00031089 Methyl protocatechuate
Protocatechuic acid methyl ester
83.33
C00032695 Acetoisovanillone
Isoacetovanillone
83.33
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol
83.33
C00034769 4-Hydroxy-2-methoxybenzoic acid 83.33
C00035903 cis-Isoeugenol
Z-Isoeugenol
83.33
C00036387 1,4-p-Menthadien-7-ol 83.33
C00040158 RKB 3564S 83.33
C00040996 3,4-Dihydroxybenzeneacetic acid
Homoprotocatechuic acid
83.33
C00042126 3-Hydroxy-4-methoxyphenethylamine
p-Methoxydopamine
83.33
C00042132 3-Methoxytyramine 83.33
C00042777 N-Methyldopamine 83.33
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol
83.33
C00047668 CID is old! 83.33
C00048139 Speciosin G 83.33
C00011002 Isopygmaein 82.14
C00000171 3-Acethyl-6-methoxybenzaldehyde 80.77
C00002741 Methyleugenol
4-Allylveratrole
Eugenol methyl ether
80.77
C00002760 Methylisoeugenol
trans-Methyl isoeugenol
80.77
C00011010 alpha-Dolabrinol 80.77
C00035131 Methyl isoeugenol 80.77
C00037562 Normetanephrine 80.77
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