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


and

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




INPUT WORD = C00012540 , 50% or more
[ Metabolite Name : [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methyl-2,5-cyclohexadiene-1,4-dione , (-)-Laurequinone , Laurequinone ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol		 97.22
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 97.22
C00012524 Deoxyhelicobasidin 94.59
C00042683 Laurentristich-4-ol 94.59
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 94.44
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 94.44
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol		 94.44
C00012551 [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-2,3,3a,8b-tetrahydro-3,3a,6,8b-tetramethyl-1H-cyclopenta[b]benzofuran
Aplysin (7CI)
(-)-Aplysin
Aplysin		 94.44
C00012560 [2S-(2alpha,5alpha,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2,5,8,10-tetramethyl-2,5-methano-1-benzoxepin
(-)-Filiformin
Filiformin		 94.44
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol		 94.44
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 94.44
C00042682 Laur-11-en-2,10-diol 94.44
C00045887 Enokipodin A
(+)-Enokipodin A		 92.11
C00012563 [2S-(2alpha,5beta,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-2,5-methano-1-benzoxepin
Iodoether A		 91.89
C00020075 5-Hydroxy-8-methoxycalamenene 91.89
C00037239 Heliannuol A
(-)-Heliannuol A		 91.89
C00037241 Heliannuol D
(+)-Heliannuol D		 91.89
C00037244 Heliannuol G
(-)-Heliannuol G		 91.89
C00045888 Enokipodin B
(-)-Enokipodin B		 91.89
C00049723 Heliannuol K
(+)-Heliannuol K		 91.89
C00011619 (-)-Curcuhydroquinone
(R)-2-(1,5-Dimethyl-4-hexenyl)-5-methyl-1,4-benzenediol		 91.67
C00011636 Sydonol 91.67
C00011685 Perezone
(R)-2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione		 91.67
C00011687 (-)-Curcuquinone
(S)-(-)-Curcuquinone
Curcuquinone
Deoxyperezone
Desoxyperezone		 91.67
C00012506 Cupalaurenol
(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol		 91.67
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 91.67
C00012552 (-)-Debromoaplysin
Debromoaplysin
[3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-1H-cyclopenta[b]benzofuran		 91.67
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 91.67
C00012564 (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 91.67
C00012577 (1R-cis)-2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol
7-Hydroxylaurene
Debromoallolaurinterol		 91.67
C00012579 cis-(+)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-5-methylphenol
10-Bromo-7-hydroxylaurene
Allolaurinterol		 91.67
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 91.67
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 91.67
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 91.67
C00042680 Laur-11-en-1,10-diol
(-)-Laur-11-en-1,10-diol		 91.67
C00049011 Schiffnerone A
(+)-Schiffnerone A		 91.67
C00012553 Aplysinol
[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol		 89.47
C00012554 [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde
Aplysinal		 89.47
C00012559 (2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Caraibical		 89.47
C00012561 (2alpha,5beta,10S*)-(-)-7-bromo-4,5-dihydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin-2(3H)-methanol
Filiforminol		 89.47
C00012562 [2R-(2alpha,5beta,10R*)]-7-Bromo-2-(bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 89.47
C00037249 Helibisabonol A
(-)-Helibisabonol A		 89.47
C00037250 Helibisabonol B 89.47
C00041270 3beta-Hydroxyaplysin
(-)-3beta-Hydroxyaplysin		 89.47
C00012525 Lagopodin A 89.19
C00012558 (1R-cis)-4-Bromo-2-[3-(hydroxymethyl)-1,2-dimethyl-3-cyclopenten-1-yl]-5-methylphenol
10-Bromo-3-laurene-7,12-diol		 89.19
C00020079 3-Hydroxy-14-calamenoic acid 89.19
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 89.19
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 89.19
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 89.19
C00037240 Heliannuol C
(-)-Heliannuol C		 89.19
C00037242 Heliannuol E
(-)-Heliannuol E		 89.19
C00037245 Heliannuol H
(-)-Heliannuol H		 89.19
C00038842 Cordiaquinol C 89.19
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