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


and

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




INPUT WORD = C00011606 , 50% or more
[ Metabolite Name : beta-Bisabolol ]
Number of matched data : 75

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011638 (-)-(E)-Lanceol 96.88
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 94.12
C00020144 Isoepicubenol 93.94
C00029348 (Z)-alpha-trans-Bergamotol 93.94
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 93.75
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 93.75
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene		 93.75
C00029679 alpha-Bisabolol
(-)-Bisabolol		 93.75
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene		 93.75
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 93.75
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 91.18
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 91.18
C00011969 12-Sesquisabinenal
2-Methyl-6-(4-methylenebicyclo[3.1.0]hex-1-yl)-2-heptenal		 90.91
C00021845 Campherenone 90.91
C00003111 alpha-Cedrene
Cedrene
Cedr-8-ene
(-)-Cedrene		 90.63
C00003118 alpha-Copaene
Copaene
(-)-alpha-Copaene		 90.63
C00003203 alpha-Ylangene 90.63
C00011631 E-gamma-Bisabolene
(E)-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-cyclohexene
(E)-gamma-Bisabolene
trans-gamma-Bisabolene		 90.63
C00011642 (+)-alpha-Atlantone
(E)-alpha-Atlantone		 90.63
C00011647 (-)-Cryptomerione
(R)-Cryptomerione		 90.63
C00011730 [S-(E)]-4-Methyl-10-methylene-7-(1-methylethenyl)-4-cyclodecen-1-one 90.63
C00011967 Sesquithujene 90.63
C00020043 Nephthene 90.63
C00021722 Di-epi-alpha-cedrene
alpha-Funebrene		 90.63
C00035439 cis-Lanceol
(S)-(Z)-Lanceol
Z-lanceol		 90.63
C00038319 7-epi-Sesquithujene 90.63
C00042021 (Z)-Lanceol 90.63
C00011599 [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol 88.24
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 88.24
C00011649 Ptilostemonol 88.24
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 88.24
C00011695 [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 88.24
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 88.24
C00045807 Cubebenone
(+)-Cubebenone		 88.24
C00012424 [1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde
13-Bicyclogermacrenal		 87.88
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one		 87.88
C00017004 Isopetasan
Dehydrofukinone
3-Desoxyisopetasol		 87.88
C00020145 1-Epicubenol
Epicubenol		 87.88
C00020146 1-epi-Cubenol
(+)-ent-Epicubenol
epi-Cubenol		 87.88
C00020407 Karatavin 87.88
C00021844 Campherenol 87.88
C00029421 CID is old! 87.88
C00036618 6-epi-Cubenol
(+)-6-epi-Cubenol		 87.88
C00003103 (+)-alpha-Bisabolol 87.50
C00003204 alpha-Zingiberene
Zingiberene
(-)-Zingiberene
l-Zingiberene		 87.50
C00007242 beta-Bisabolene
(S)-beta-Bisabolene
(-)-beta-Bisabolene
l-beta-Bisabolene
1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene		 87.50
C00007243 (+)-alpha-Barbatene
alpha-Barbatene		 87.50
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.50
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.50
C00011605 Laggerol 87.50
C00011634 Isobisabolene 87.50
C00011646 (+)-beta-Atlantone
beta-Atlantone		 87.50
C00011724 4(15),5E,10(14)-Germacratrien-1alpha-ol 87.50
C00011965 Sesquicarene
[1R-(1a,6a,7a)]-3,7-Dimethyl-7-(4-methyl-3-pentenyl)-bicyclo[4.1.0]hept-2-ene		 87.50
C00011966 Sesquisabinene
Sesquisabinene A		 87.50
C00012459 (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al		 87.50
C00012601 [S-(R*,R*)]-1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene
Trichodiene		 87.50
C00012602 (+)-beta-Bazzanene
beta-Bazzanene
Bazzanene
[R-(R*,S*)]-1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene		 87.50
C00012775 (4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene 87.50
C00020050 (-)-Zonarene 87.50
C00021476 1-Sterpurene 87.50
C00021589 15-Nor-2-acoren-4-one 87.50
C00021850 alpha-Santalene 87.50
C00021883 alpha-Bourbonene 87.50
C00021904 trans-beta-Bergamotene 87.50
C00021982 Italicene 87.50
C00022495 10-Oxo-10,11H-beta-bisabolene 87.50
C00035440 cis-alpha-Bisabolene
(Z)-alpha-bisabolene
(Z)-alpha-Bisabolene epoxide		 87.50
C00036063 Buddledone A 87.50
C00036299 (+)-Amorpha-4,11-diene 87.50
C00036614 6-epi-alpha-Cubebene
(+)-6-epi-alpha-Cubebene		 87.50
C00037113 Epizonarene
(+)-Epizonarene
epi-Zonarene		 87.50
C00044027 (-)-alpha-Microbiotene 87.50
C00048335 Bisabolene 87.50
C00050259 trans-alpha-Bisabolene 87.50
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