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


and

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




INPUT WORD = C00012563 , 50% or more
[ Metabolite Name : [2S-(2alpha,5beta,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-2,5-methano-1-benzoxepin , Iodoether A ]
Number of matched data : 72

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		 97.30
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 94.59
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		 94.59
C00012564 (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 94.59
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol		 94.59
C00012561 (2alpha,5beta,10S*)-(-)-7-bromo-4,5-dihydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin-2(3H)-methanol
Filiforminol		 92.11
C00012562 [2R-(2alpha,5beta,10R*)]-7-Bromo-2-(bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 92.11
C00012565 [2S-(2alpha,5alpha,10S*)]-2-(Dibromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 92.11
C00041270 3beta-Hydroxyaplysin
(-)-3beta-Hydroxyaplysin		 92.11
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol		 91.89
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		 91.89
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 91.89
C00012578 (1R-cis)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-3-iodo-5-methylphenol 91.89
C00012579 cis-(+)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-5-methylphenol
10-Bromo-7-hydroxylaurene
Allolaurinterol		 91.89
C00042682 Laur-11-en-2,10-diol 91.89
C00042683 Laurentristich-4-ol 91.89
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
C00045887 Enokipodin A
(+)-Enokipodin A		 89.47
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol		 89.19
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 89.19
C00012552 (-)-Debromoaplysin
Debromoaplysin
[3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-1H-cyclopenta[b]benzofuran		 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
C00012577 (1R-cis)-2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol
7-Hydroxylaurene
Debromoallolaurinterol		 89.19
C00012580 Laurenisol 89.19
C00042680 Laur-11-en-1,10-diol
(-)-Laur-11-en-1,10-diol		 89.19
C00042681 Laur-11-en-10-ol
(-)-Laur-11-en-10-ol		 89.19
C00012514 alpha-Isocuparenol 86.49
C00012515 alpha-Cuparenol 86.49
C00012524 Deoxyhelicobasidin 86.49
C00012556 (1S-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methyl-1,4-cyclohexadiene
12-Bromo-4(13),6,9-lauratriene		 86.49
C00012557 (1R-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methylbenzene
12-Bromo-4(13),6,8,10-lauratetracene		 86.49
C00012567 cis-(-)-2-[2-(Bromomethylene)-1,3-dimethylcyclopentyl]-5-methylphenol
(-)-Isolaurenisol
Isolaurenisol		 86.49
C00012581 [1R-(1alpha,2alpha,3Z)]-4-Bromo-2-[3-(bromomethylene)-1,2-dimethylcyclopentyl]-5-methylphenol
10-Bromolaurenisol		 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
C00037242 Heliannuol E
(-)-Heliannuol E		 86.49
C00038842 Cordiaquinol C 86.49
C00045888 Enokipodin B
(-)-Enokipodin B		 86.49
C00049723 Heliannuol K
(+)-Heliannuol K		 86.49
C00012504 alpha-bromocuparane
alpha-Bromocuparene
Bromocuparene
(1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene		 83.78
C00012505 (1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol 83.78
C00012506 Cupalaurenol
(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol		 83.78
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 83.78
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 83.78
C00012513 (S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Cyclopentanone, 2,2,3-trimethyl-3-p-tolyl-, (S)-(+)-
(+)-alpha-Cuparenone
(+)-Cuparenone
alpha-Cuparenone		 83.78
C00012534 Cyclolaurene
[1S-(1alpha,2beta,5alpha)]-1,2-Dimethyl-2-(4-methylphenyl)bicyclo[3.1.0]hexane		 83.78
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 83.78
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol		 83.78
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 83.78
C00012573 (-)-Epilaurene
(1R-trans)-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene		 83.78
C00016962 Shizukanolide B
Chloranthalactone A		 83.78
C00020075 5-Hydroxy-8-methoxycalamenene 83.78
C00020079 3-Hydroxy-14-calamenoic acid 83.78
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 83.78
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 83.78
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 83.78
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 83.78
C00021314 Podocephalol 83.78
C00021716 Spiroeuryolide 83.78
C00035050 (+)-ar-Dihydroturmerone
ar-Dihydroturmerone		 83.78
C00037241 Heliannuol D
(+)-Heliannuol D		 83.78
C00037244 Heliannuol G
(-)-Heliannuol G		 83.78
C00037245 Heliannuol H
(-)-Heliannuol H		 83.78
C00038841 Cordiachrome C
(-)-Cordiachrome C		 83.78
C00040139 R-(-)-alpha-Cuparenone
(-)-R-(-)-alpha-Cuparenone		 83.78
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 83.78
C00042167 7,10-Epoxy-ar-bisabol-11-ol 83.78
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 83.78
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