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


and

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




INPUT WORD = C00011695 , 50% or more
[ Metabolite Name : [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 100.00
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 91.67
C00011599 [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol 91.18
C00029679 alpha-Bisabolol
(-)-Bisabolol		 91.18
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 91.18
C00011586 [R-(R*,R*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine 88.24
C00011587 Aminobisabolene
[S-(R*,S*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine		 88.24
C00011588 Aminobisabolenol 88.24
C00011606 beta-Bisabolol 88.24
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 88.24
C00021903 (Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
trans-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene		 88.24
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene		 88.24
C00021667 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene 86.11
C00048620 Axinythiocyanate A
(+)-Axinythiocyanate A		 86.11
C00003113 Centarol 85.71
C00011651 (-)-alpha-Bisabolol oxide A
alpha-Bisabolol oxide
alpha-Bisabolol oxide A
Bisabolol oxide A
Bisabolol oxide I
Bisaboloxide A		 85.71
C00047214 Dihydroxybergamotene 85.71
C00003103 (+)-alpha-Bisabolol 85.29
C00003111 alpha-Cedrene
Cedrene
Cedr-8-ene
(-)-Cedrene		 85.29
C00003118 Copaene
(-)-alpha-Copaene
alpha-Copaene		 85.29
C00003144 Hernandulcin 85.29
C00003145 Himachalol 85.29
C00003203 alpha-Ylangene 85.29
C00011589 (+)-Isoaminobisabolenol b
Isoaminobisabolenol b		 85.29
C00011590 (+)-Isoaminobisabolenol a
Isoaminobisabolenol a		 85.29
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 85.29
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 85.29
C00011631 E-gamma-Bisabolene
(E)-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-cyclohexene
(E)-gamma-Bisabolene		 85.29
C00011638 (-)-(E)-Lanceol 85.29
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 85.29
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 85.29
C00011678 Delobanone
[R-(R*,S*)]-5-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-2-methyl-2-cyclohexen-1-one		 85.29
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 85.29
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 85.29
C00011918 Sesquicineole 85.29
C00011921 3-Isocyanotheonellin
Theonellin isocyanide		 85.29
C00011967 Sesquithujene 85.29
C00020043 Nephthene 85.29
C00020096 9,10-Epoxy-4-muurolene 85.29
C00020144 Isoepicubenol 85.29
C00020407 Karatavin 85.29
C00021722 Di-epi-alpha-cedrene
alpha-Funebrene		 85.29
C00021723 alpha-Biotol 85.29
C00021845 Campherenone 85.29
C00022800 7,15-Dihydroxybisabol-10-ene 85.29
C00029348 (Z)-alpha-trans-Bergamotol 85.29
C00038319 7-epi-Sesquithujene 85.29
C00021242 Axisonitrile 2 83.33
C00011653 alpha-Bisabolol oxide C
Bisabolol oxide C		 82.86
C00020184 4-Cadinene-10,14-diol 82.86
C00021315 Isocentdarol 82.86
C00032572 (3R,4R,6S)-3,4-Epoxybisabola-7(14),10-dien-2-one
(-)-(3R,4R,6S)-3,4-Epoxybisabola-7(14),10-dien-2-one		 82.86
C00039328 Halichonadin C
(-)-Halichonadin C		 82.86
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