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


and

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





INPUT WORD = C00011011 , 50% or more
[ Metabolite Name : 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one , alpha-Thujaplicin ]
Number of matched data : 75

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003062 beta-Thujaplicin 95.83
C00003063 gamma-Thujaplicin 95.83
C00011009 beta-Dolabrin 95.83
C00011000 2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone 92.31
C00011001 Pygmaein 92.31
C00030934 p-Cymene-2,3-diol 91.67
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
87.50
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione
87.50
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 87.50
C00011012 4-Isopropyl-2,4,6-cycloheptatrien-1-one
Nezukone
87.50
C00011002 Isopygmaein 85.71
C00011010 alpha-Dolabrinol 84.62
C00018324 Siccayne 84.62
C00037524 Multiflotriol 84.62
C00010813 (+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol 84.00
C00000155 m-Thymol
Thymol
83.33
C00000156 Carvacrol 83.33
C00002689 Acetovanillone
Apocynin
83.33
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 83.33
C00010843 Macropone 83.33
C00010864 Cymorcin 83.33
C00010866 3-Methoxy-p-cymene
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
2-Isopropyl-5-methylanisole
Thymol methyl ether
Methyl thymyl ether
83.33
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol
83.33
C00010968 2-Isopropyl-p-cresol
4-Methyl-2-isopropylphenol
83.33
C00032617 2,5-Dihydroxy-4-methylacetophenone 83.33
C00032636 3,4-Dimethoxy-styrene 83.33
C00032695 Acetoisovanillone
Isoacetovanillone
83.33
C00040158 RKB 3564S 83.33
C00041329 Alcalinaphenol A 83.33
C00042023 1,2,3-Trimethoxybenzene 83.33
C00042777 N-Methyldopamine 83.33
C00048139 Speciosin G 83.33
C00021948 Dihydropalutropone 81.48
C00010857 2-(2Hydroxy-4-methylphenyl)-1,3-propanediol
9,10-Dihydroxythymol
80.77
C00010909 5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
NSC 379495
80.77
C00002154 Echinopsine 80.00
C00026243 Glycorine
1-Methyl-4-quinazolone
80.00
C00000258 2,6-Dimethoxy-1,4-benzoquinone
2,6-Dimethoxy-p-benzoquinone
79.17
C00000487 Orsellinic acid
2,4-Dihydroxy-6-methylbenzoic acid
4,6-Dihydroxy-2-methylbenzoic acid
Orsellic acid
79.17
C00001408 Dopamine 79.17
C00001424 Noradrenaline
L-Noradrenaline
Norepinephrine
(-)-Norepinephrine
79.17
C00002646 Syringol 79.17
C00002669 Pyrocatechuic acid
o-Pyrocatechuic acid
2,3-Dihydroxybenzoic acid
79.17
C00002682 Vanillic acid
3-Methoxy-4-hydroxybenzoic acid
79.17
C00002683 Vanillin 79.17
C00002693 3',4'-Dihydroxyacetophenone 79.17
C00002704 Paeonol 79.17
C00002713 (E)-Anethole
Anethole
79.17
C00002740 Methyl chavicol
Estragole
Estragol
Esdragol
79.17
C00003039 Cumin aldehyde
Cuminal
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde
79.17
C00007309 Homogentisate
Homogentisic acid
79.17
C00010316 Elsholtzione 79.17
C00010328 Isoegomaketone 79.17
C00010341 3-(4-Methyl-1,4-pentadienyl)furan
Lepalene
79.17
C00010359 5-Ethylidene-5,6-dihydro-3,6,6-trimethyl-2-pyranone 79.17
C00010851 Pseudodiosphenol 79.17
C00010858 4-Isopropenylbenzaldehyde 79.17
C00010918 (1R-trans)-1-Methyl-4-(1-methylethyl)-4-cyclohexene-1,2-diol 79.17
C00017929 3,4-Dihydroxytropolone
BMY 28438
79.17
C00029502 3-Hydroxy-4-methoxybenzoic acid
Isovanillic acid
79.17
C00030933 p-Cymen-8-ol 79.17
C00031535 2,3-Dimethoxy-1,4-benzoquinone 79.17
C00032269 CID is old! 79.17
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol
79.17
C00033837 Ethylparaben 79.17
C00035454 1,3,5-Trimethoxybenzene 79.17
C00036387 1,4-p-Menthadien-7-ol 79.17
C00036581 4-Isopropylbenzoic acid
cumic acid
79.17
C00037604 p-Cymen-9-ol 79.17
C00040996 3,4-Dihydroxybenzeneacetic acid
Homoprotocatechuic acid
79.17
C00041332 Alcalinaphenol D 79.17
C00043206 5-(4-Pentenyl)-2-furaldehyde 79.17
C00043215 5-Pentyl-2-furaldehyde 79.17
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol
79.17
C00047668 CID is old! 79.17
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