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


and

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




INPUT WORD = C00011642 , 50% or more
[ Metabolite Name : (+)-alpha-Atlantone , (E)-alpha-Atlantone ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 96.88
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 93.75
C00011644 (Z)-alpha-Atlantone
[R-(Z)]-2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-2,5-heptadien-4-one		 93.75
C00029679 alpha-Bisabolol
(-)-Bisabolol		 93.75
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 93.75
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 91.18
C00012738 (2R-cis)-1,2,3,4,6,7,8,8a-Octahydro-5,8a-dimethyl-3-(1-methylethylidene)-2-naphthalenol 90.91
C00046524 Xenitorin A
(-)-Xenitorin A		 90.91
C00011606 beta-Bisabolol 90.63
C00011638 (-)-(E)-Lanceol 90.63
C00011646 (+)-beta-Atlantone
beta-Atlantone		 90.63
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene		 90.63
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene		 90.63
C00035440 cis-alpha-Bisabolene
(Z)-alpha-bisabolene
(Z)-alpha-Bisabolene epoxide		 90.63
C00050259 trans-alpha-Bisabolene 90.63
C00011599 [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol 88.24
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 88.24
C00021723 alpha-Biotol 88.24
C00011395 (E,E)-(-)-10-hydroxy-2,6,10-trimethyl-2,5,7,11-Dodecatetraen-4-one 87.88
C00012736 Ent-8beta-hydroxyeudesma-3,11-diene
[2S-(2alpha,3alpha,4abeta,8aalpha)]-1,2,3,4,4a,7,8,8a-Octahydro-5,8a,dimethyl-3-(1-methylethenyl)-2-naphthalenol		 87.88
C00021845 Campherenone 87.88
C00021902 Bazzanenol 87.88
C00029348 (Z)-alpha-trans-Bergamotol 87.88
C00038074 (+)-Bisabola-2,10-diene[1,9]oxide 87.88
C00003103 (+)-alpha-Bisabolol 87.50
C00003111 alpha-Cedrene
Cedrene
Cedr-8-ene
(-)-Cedrene		 87.50
C00003118 alpha-Copaene
Copaene
(-)-alpha-Copaene		 87.50
C00003203 alpha-Ylangene 87.50
C00007632 (E)-alpha-Bisabolene 87.50
C00011450 (E,E)-2-(2,6-Dimethyl-1,5,7-octatrienyl)-4-methylfuran 87.50
C00011608 Dihydro-beta-atlantone 87.50
C00011631 E-gamma-Bisabolene
(E)-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-cyclohexene
(E)-gamma-Bisabolene
trans-gamma-Bisabolene		 87.50
C00011633 (+)-Theonellin
Theonellin		 87.50
C00011639 alpha-Turmerone 87.50
C00011643 (E)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one 87.50
C00011967 Sesquithujene 87.50
C00020043 Nephthene 87.50
C00020051 alpha-Cadinene 87.50
C00021310 gamma-Himachalene 87.50
C00021722 Di-epi-alpha-cedrene
alpha-Funebrene		 87.50
C00038319 7-epi-Sesquithujene 87.50
C00011602 Yingzhaosu B 86.11
C00003144 Hernandulcin 85.29
C00011588 Aminobisabolenol 85.29
C00011597 2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-6-heptene-2,3-diol 85.29
C00011601 (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one 85.29
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 85.29
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-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
C00011690 [S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one 85.29
C00011902 Pseudotsugonal 85.29
C00045807 Cubebenone
(+)-Cubebenone		 85.29
C00048957 Atlantolone 85.29
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