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


and

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




INPUT WORD = C00011599 , 50% or more
[ Metabolite Name : [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 97.06
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 94.12
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 94.12
C00022800 7,15-Dihydroxybisabol-10-ene 94.12
C00029679 alpha-Bisabolol
(-)-Bisabolol		 94.12
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 94.12
C00003113 Centarol 91.43
C00011651 (-)-alpha-Bisabolol oxide A
alpha-Bisabolol oxide
alpha-Bisabolol oxide A
Bisabolol oxide A
Bisabolol oxide I
Bisaboloxide A		 91.43
C00020184 4-Cadinene-10,14-diol 91.43
C00003144 Hernandulcin 91.18
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 91.18
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 91.18
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 91.18
C00011649 Ptilostemonol 91.18
C00011678 Delobanone
[R-(R*,S*)]-5-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-2-methyl-2-cyclohexen-1-one		 91.18
C00011695 [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 91.18
C00011902 Pseudotsugonal 91.18
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 91.18
C00035967 7(14),10-bisaboladien-1-ol-4-one 91.18
C00011674 (R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester 89.47
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 88.89
C00011903 (+)-Todomatuic acid 88.89
C00011653 alpha-Bisabolol oxide C
Bisabolol oxide C		 88.57
C00021315 Isocentdarol 88.57
C00021955 Tanavulgarol 88.57
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		 88.57
C00047214 Dihydroxybergamotene 88.57
C00003103 (+)-alpha-Bisabolol 88.24
C00003145 Himachalol 88.24
C00011472 cis-6-Ethenyldihydro-2,6-dimethyl-2-(4-methyl-3-pentenyl)-2H-pyran-3(4H)-one 88.24
C00011473 (2alpha,3beta,6alpha)-6-Ethenyltetrahydro-2,6-dimethyl-2-(4-methyl-3-pentenyl)-2H-pyran-3-ol 88.24
C00011588 Aminobisabolenol 88.24
C00011598 [1S-[1alpha,2beta,5beta(R*)]]-5-(1,5-Dimethyl-4-hexenyl)-2-methyl-3-cyclohexene-1,2-diol 88.24
C00011606 beta-Bisabolol 88.24
C00011638 (-)-(E)-Lanceol 88.24
C00011642 (+)-alpha-Atlantone
(E)-alpha-Atlantone		 88.24
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 88.24
C00011898 Dihydropseudotsugonol 88.24
C00011899 Dihydropseudotsugonal 88.24
C00011918 Sesquicineole 88.24
C00012738 (2R-cis)-1,2,3,4,6,7,8,8a-Octahydro-5,8a-dimethyl-3-(1-methylethylidene)-2-naphthalenol 88.24
C00020096 9,10-Epoxy-4-muurolene 88.24
C00020407 Karatavin 88.24
C00021845 Campherenone 88.24
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene		 88.24
C00029348 (Z)-alpha-trans-Bergamotol 88.24
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene		 88.24
C00045807 Cubebenone
(+)-Cubebenone		 88.24
C00049684 Volvatellin 88.24
C00003128 Dehydrongaione 86.49
C00011492 Dehydroipomeamarone
(2R-cis)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-3-penten-2-one		 86.49
C00011494 (2S-trans)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-3-penten-2-one 86.49
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