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


and

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




INPUT WORD = C00029349 , 50% or more
[ Metabolite Name : (Z)-alpha-trans-Bergamotol acetate , trans-.alpha-Bergamotyl acetate ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011679 [S-[R*,S*-(E)]]-6-[6-(Acetyloxy)-1,5-dimethyl-4-hexenyl]-3-methyl-2-cyclohexen-1-one 92.50
C00050320 3-Acetoxy-E-gamma-Bisabolene 92.31
C00011896 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester 89.74
C00017284 PI 200 87.50
C00044516 alpha-Snyderol acetate 87.50
C00012426 Coralloidin B 87.18
C00012751 Coralloidin A
[2R-(2alpha,5beta,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-5,8a-dimethyl-3-(1-methylethylidene)-2-naphthalenol acetate		 87.18
C00012752 (-)-Coralloidin C
Coralloidin C
(1R-trans)-1,3,4,5,6,7-Hexahydro-1-methyl-7-(1-methylethylidene)-4a(2H)-naphthalenemethanol acetate		 87.18
C00016986 12-Acetoxyeremophilene
[2R-(2alpha,8alpha,8aalpha)]-1,2,3,4,6,7,8,8a-octahydro-8,8a-dimethyl-beta-methylene-2-naphthaleneethanol acetate		 87.18
C00030877 Occidentalol acetate 87.18
C00049226 Massarinolin C
(+)-Massarinolin C		 87.18
C00021391 Carotdiol acetate 85.37
C00011702 [1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-1-acetate 5-cyclodecene-1,4-diol 85.00
C00012001 8-Acetoxyelemol
8alpha-Acetoxyelemol		 85.00
C00012974 [3aR-(3aalpha,4alpha,5abeta,6beta,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-4,6-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
8alpha-Hydroxybalchanin		 85.00
C00021281 (-)-Cyperenyl acetate 85.00
C00029918 Cedryl acetate
8betaH-Cedran-8-ol acetate		 85.00
C00038080 (+)-Gymnomitrol acetate 85.00
C00046940 Suberosenol A acetate
(-)-Suberosenol A acetate		 85.00
C00046942 Suberosenol B acetate
(-)-Suberosenol B acetate		 85.00
C00003363 Santamarin
Santamarine
Balchanin		 84.62
C00011429 (+)-9-Acetoxynerolidol 84.62
C00011674 (R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester 84.62
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 84.62
C00011725 [1S-(1R*,5E,7R*)]-4,10-bis(methylene)-7-(1-methylethyl)-5-Cyclodecen-1-ol acetate 84.62
C00013037 11beta,13-Dihydrosantamarin
11,13-Dihydrosantamarine
Dihydrosantamarin		 84.62
C00013223 Douglanin
Douglanine
[3aS-(3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 84.62
C00021319 10,12-Dihydroxy-3-longipinen-5-one 84.62
C00022180 Dinortrixagone 84.62
C00029348 (Z)-alpha-trans-Bergamotol 84.62
C00034364 11alpha,13-Dihydrosantamarin 84.62
C00047214 Dihydroxybergamotene 84.62
C00012908 [4aS-(4aalpha,8beta,8abeta)]-4,4a,7,8,8a,9-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-8-ol acetate 83.33
C00043139 (6S,7E,9E,11E)-3-Oxo-13-apo-alpha-caroten-13-one
(+)-(6S,7E,9E,11E)-3-Oxo-13-apo-alpha-caroten-13-one		 83.33
C00020229 8beta-Acetoxy-9beta-hydroxyverboccidenten 82.93
C00020402 Watsonol B 82.93
C00020406 11-Acetoxy-10(14)-guaien-4alpha-ol 82.93
C00031505 15-Acetoxy-T-muurolol 82.93
C00033143 Madolin H
(-)-Madolin H		 82.93
C00042185 Acetyldeschloroelatol
(+)-Acetyldeschloroelatol		 82.93
C00011541 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid 82.50
C00011560 Onchidal 82.50
C00011682 3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one 82.50
C00013005 Gallicadiol
[3S-(3alpha,3aalpha,5abeta,6beta,9abeta,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-6,9a-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 82.50
C00022189 Apo-13-zeaxanthinone 82.50
C00029916 Cedr-8(15)-en-9-alpha-ol acetate 82.50
C00033594 8alpha-Hydroxydouglanin
Deacetylludalbin		 82.50
C00034289 Stereumin B
(+)-Stereumin B		 82.50
C00037484 Marsupellol acetate
(-)-Marsupellol acetate		 82.50
C00040764 12-Acetoxyisocomene
(-)-12-Acetoxyisocomene		 82.50
C00045324 iso-Ambreinolide
(-)-iso-Ambreinolide		 82.50
C00045372 Phomadecalin C
(+)-Phomadecalin C		 82.50
Page Top