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


and

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





INPUT WORD = C00011694 , 50% or more
[ Metabolite Name : [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011695 [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 91.67
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 91.67
C00011674 (R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester 89.47
C00011588 Aminobisabolenol 88.89
C00011599 [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol 88.89
C00021667 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene 88.89
C00011896 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester 86.84
C00003113 Centarol 86.11
C00003144 Hernandulcin 86.11
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 86.11
C00011609 alpha-Bisabol-1-one
1-Bisabolone
86.11
C00011638 (-)-(E)-Lanceol 86.11
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one
86.11
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 86.11
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 86.11
C00020416 Procurcumenol 86.11
C00029348 (Z)-alpha-trans-Bergamotol 86.11
C00029679 alpha-Bisabolol
(-)-Bisabolol
86.11
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol
86.11
C00029349 (Z)-alpha-trans-Bergamotol acetate
trans-.alpha-Bergamotyl acetate
84.62
C00003156 Juvabione 84.21
C00011905 (+)-Isojuvabiol
Isojuvabiol
84.21
C00011906 (+)-Juvabiol
(4R,1'R,3'S)-Juvabiol
Juvabiol
84.21
C00050320 3-Acetoxy-E-gamma-Bisabolene 84.21
C00021665 10-Isothiocyanato-4-cadinene 83.78
C00021668 (1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene
10-Isothiocyanato-4-amorphene
83.78
C00038558 Axinisothiocyanate K
(+)-Axinisothiocyanate K
83.78
C00003190 Sirenin
(-)-Sirenin
Sirenin (Allomyces)
l-Sirenin
83.33
C00011586 [R-(R*,R*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine 83.33
C00011587 Aminobisabolene
[S-(R*,S*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine
83.33
C00011597 2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-6-heptene-2,3-diol 83.33
C00011606 beta-Bisabolol 83.33
C00011642 (+)-alpha-Atlantone
(E)-alpha-Atlantone
83.33
C00011649 Ptilostemonol 83.33
C00011651 (-)-alpha-Bisabolol oxide A
alpha-Bisabolol oxide
alpha-Bisabolol oxide A
Bisabolol oxide A
Bisabolol oxide I
Bisaboloxide A
83.33
C00011658 Deodarone 83.33
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 83.33
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 83.33
C00011689 [R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid 83.33
C00011903 (+)-Todomatuic acid 83.33
C00011920 Theonellin formamide 83.33
C00011922 Theonellin isothiocyanate 83.33
C00011969 12-Sesquisabinenal
2-Methyl-6-(4-methylenebicyclo[3.1.0]hex-1-yl)-2-heptenal
83.33
C00012068 1,10-Epoxygermacron 83.33
C00021307 4,7-Epoxy-1-himachalen-3-ol 83.33
C00021315 Isocentdarol 83.33
C00021723 alpha-Biotol 83.33
C00021749 alpha-Isocedrene-14,15-dial 83.33
C00021845 Campherenone 83.33
C00021903 (Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
trans-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene
83.33
C00022800 7,15-Dihydroxybisabol-10-ene 83.33
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene
83.33
C00037033 Deoxyarteannuin B
Deoxyisoartemisinin C
83.33
C00037054 Dihydrodeoxyarteannuin B 83.33
C00037269 Palmitic amide
Hexadecanamide
83.33
C00042884 Pulicanadienol
(+)-Pulicanadienol
83.33
C00045807 Cubebenone
(+)-Cubebenone
83.33
C00047068 Oblongifolidiol
(+)-Oblongifolidiol
83.33
C00047214 Dihydroxybergamotene 83.33
C00048620 Axinythiocyanate A
(+)-Axinythiocyanate A
83.33
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