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


and

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





INPUT WORD = C00012564 , 50% or more
[ Metabolite Name : (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin ]
Number of matched data : 64

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012560 [2S-(2alpha,5alpha,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2,5,8,10-tetramethyl-2,5-methano-1-benzoxepin
(-)-Filiformin
Filiformin
97.22
C00012562 [2R-(2alpha,5beta,10R*)]-7-Bromo-2-(bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 94.74
C00012565 [2S-(2alpha,5alpha,10S*)]-2-(Dibromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 94.74
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
94.59
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol
94.44
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
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
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran
94.44
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol
94.44
C00012580 Laurenisol 94.44
C00012561 (2alpha,5beta,10S*)-(-)-7-bromo-4,5-dihydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin-2(3H)-methanol
Filiforminol
92.11
C00012505 (1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol 91.67
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol
91.67
C00012540 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methyl-2,5-cyclohexadiene-1,4-dione
(-)-Laurequinone
Laurequinone
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
C00012556 (1S-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methyl-1,4-cyclohexadiene
12-Bromo-4(13),6,9-lauratriene
91.67
C00012557 (1R-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methylbenzene
12-Bromo-4(13),6,8,10-lauratetracene
91.67
C00012567 cis-(-)-2-[2-(Bromomethylene)-1,3-dimethylcyclopentyl]-5-methylphenol
(-)-Isolaurenisol
Isolaurenisol
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
C00042680 Laur-11-en-1,10-diol
(-)-Laur-11-en-1,10-diol
91.67
C00042681 Laur-11-en-10-ol
(-)-Laur-11-en-10-ol
91.67
C00042682 Laur-11-en-2,10-diol 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
C00041270 3beta-Hydroxyaplysin
(-)-3beta-Hydroxyaplysin
89.47
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
C00012581 [1R-(1alpha,2alpha,3Z)]-4-Bromo-2-[3-(bromomethylene)-1,2-dimethylcyclopentyl]-5-methylphenol
10-Bromolaurenisol
89.19
C00042683 Laurentristich-4-ol 89.19
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol
88.89
C00012514 alpha-Isocuparenol 88.89
C00012515 alpha-Cuparenol 88.89
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol
88.89
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol
88.89
C00012578 (1R-cis)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-3-iodo-5-methylphenol 88.89
C00036367 1,15-Dihydroxyherbertene 88.89
C00045887 Enokipodin A
(+)-Enokipodin A
86.84
C00012524 Deoxyhelicobasidin 86.49
C00020185 (1S,4S)-7-Methoxycalamenen-3-one 86.49
C00020773 (1S,4R)-7-Methoxycalamenen-4-ol 86.49
C00037239 Heliannuol A
(-)-Heliannuol A
86.49
C00037240 Heliannuol C
(-)-Heliannuol C
86.49
C00037241 Heliannuol D
(+)-Heliannuol D
86.49
C00049723 Heliannuol K
(+)-Heliannuol K
86.49
C00011635 (+)-Curcudiol
(S)-(+)-Curcudiol
Curcudiol
86.11
C00011636 Sydonol 86.11
C00011943 Himaphenolone
Himasecolone
86.11
C00012504 alpha-bromocuparane
alpha-Bromocuparene
Bromocuparene
(1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene
86.11
C00012513 (S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Cyclopentanone, 2,2,3-trimethyl-3-p-tolyl-, (S)-(+)-
(+)-alpha-Cuparenone
(+)-Cuparenone
alpha-Cuparenone
86.11
C00012534 Cyclolaurene
[1S-(1alpha,2beta,5alpha)]-1,2-Dimethyl-2-(4-methylphenyl)bicyclo[3.1.0]hexane
86.11
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol
86.11
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol
86.11
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one
86.11
C00012573 (-)-Epilaurene
(1R-trans)-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene
86.11
C00021314 Podocephalol 86.11
C00033917 Hofmeisterin III 86.11
C00035050 (+)-ar-Dihydroturmerone
ar-Dihydroturmerone
86.11
C00036366 1,13-Dihydroxyherbertene 86.11
C00040139 R-(-)-alpha-Cuparenone
(-)-R-(-)-alpha-Cuparenone
86.11
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 86.11
C00042167 7,10-Epoxy-ar-bisabol-11-ol 86.11
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol
86.11
C00049011 Schiffnerone A
(+)-Schiffnerone A
86.11
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