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


and

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




INPUT WORD = C00042269 , 50% or more
[ Metabolite Name : Azulene ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001259 Naphthalene 90.48
C00049063 1,4-Dimethyl-azulene 84.00
C00026478 Quinoline 80.95
C00049061 1,2-Dihydroisoquinoline 80.95
C00034374 1-Methoxynaphthalene 80.00
C00011012 4-Isopropyl-2,4,6-cycloheptatrien-1-one
Nezukone		 77.27
C00001430 Skatole 76.19
C00000552 1,8-Dihydroxynaphthalene 76.00
C00019348 1-Naphthoic acid 74.07
C00034398 5-Methoxy-1-naphthalenol 74.07
C00000112 Indole-3-carboxaldehyde
Indole-3-carboxyaldehyde
1H-Indole-3-carboxaldehyde		 73.91
C00002460 Coumarin 73.91
C00010531 Norviburtinal 73.91
C00023597 2,4-Dimethylindole 73.91
C00042152 5-Formylbenzofuran 73.91
C00044432 2-Hydroxyquinoline
2-Quinolone		 73.91
C00003114 Camazulene
Chamazulene		 72.41
C00034433 alpha,beta-Dipyridyl 72.00
C00049093 5-Methylcoumarin 72.00
C00001418 Indole 71.43
C00003040 p-Cymene
4-Cymene		 71.43
C00003060 alpha-Terpinene 71.43
C00003061 gamma-Terpinene
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene		 71.43
C00010905 4-Isopropenyl-1-methylbenzene
alpha,4-Dimethylstyrene
p-Cymenene
p-Isopropenyltoluene
p-Isopropenyl toluene
Dehydro-p-cymene		 71.43
C00010907 p-Mentha-1,3,8-triene
1,3,8-p-Menthatriene		 71.43
C00010967 beta-Cymene
m-Cymene
1-Methyl-3-(1-methylethyl)benzene
1-Isopropyl-3-methylbenzene		 71.43
C00010974 alpha-Cymene
o-Cymol
0-Isopropyltoluene
1-Isopropyl-2-methylbenzene
o-Cymene
2-Isopropyltoluene		 71.43
C00032375 (E)-Cinnamic alcohol
trans-Cinnamyl alcohol
(E)-cinnamyl alcohol		 71.43
C00003062 beta-Thujaplicin 70.83
C00003063 gamma-Thujaplicin 70.83
C00011009 beta-Dolabrin 70.83
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin		 70.83
C00000144 5-Hydroxy-1,4-naphthoquinone
juglone
Juglone		 70.37
C00002837 Lawsone 70.37
C00041598 Indole-3-methanol
Indole-3-carbinol		 69.57
C00001290 1-Phenylhepta-1,3,5-triyne 69.23
C00002852 Plumbagin
Plumbagine		 68.97
C00042800 o-Hibiscanone 68.97
C00049089 3-Hydroxyjuglone 68.97
C00049940 2-Methoxy-1,4-naphthoquinone
2-Methoxynaphthoquinone		 68.97
C00000155 m-Thymol
Thymol		 68.18
C00000156 Carvacrol 68.18
C00000157 4-Phenylbutan-2-one 68.18
C00000231 cis-Jasmone
(Z)-Cinerone
Cinerone		 68.18
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde		 68.18
C00010858 4-Isopropenylbenzaldehyde 68.18
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol		 68.18
C00010968 2-Isopropyl-p-cresol
4-Methyl-2-isopropylphenol		 68.18
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol		 68.18
C00030933 p-Cymen-8-ol 68.18
C00031420 trans-p-Coumaryl alcohol 68.18
C00031422 trans-p-Hydroxycinnamaldehyde 68.18
C00032864 Cumin alcohol
p-Cymen-7-ol
Cuminyl alcohol
p-Isopropylbenzyl alcohol		 68.18
C00034743 Z-Cinnamic acid
cis-Cinnamic acid		 68.18
C00036387 1,4-p-Menthadien-7-ol 68.18
C00037604 p-Cymen-9-ol 68.18
C00044952 N-Butylbenzenamine 68.18
Page Top