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


and

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




INPUT WORD = C00012545 , 50% or more
[ Metabolite Name : (-)-Herbertenediol , Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol ]
Number of matched data : 55

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035991 (-)-Herbertene-1,12-diol 97.14
C00036366 1,13-Dihydroxyherbertene 97.14
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 94.29
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 94.29
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol		 94.29
C00035990 (-)-gamma-Herbertenol 94.29
C00036367 1,15-Dihydroxyherbertene 94.29
C00012524 Deoxyhelicobasidin 91.89
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 91.67
C00011943 Himaphenolone
Himasecolone		 91.43
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 91.43
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 91.43
C00037264 Herbertenone A
(-)-Herbertenone A		 91.43
C00046403 Sesquichamaenol 91.43
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol		 88.89
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 88.89
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		 88.89
C00011668 (S)-(+)-Elvirol 88.57
C00011970 (+)-Aoifuranone
Aoifuranone		 88.57
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 88.57
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 88.57
C00012541 (-)-Herbertene
(-)-Isocuparene
Herbertene
Isocuparene
(S)-1-Methyl-3-(1,2,2-trimethylcyclopentyl)benzene		 88.57
C00012542 (-)-beta-Herbertenol
beta-Herbertenol
2-Hydroxyisocuparene
(S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol		 88.57
C00012552 (-)-Debromoaplysin
Debromoaplysin
[3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-1H-cyclopenta[b]benzofuran		 88.57
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol		 88.57
C00020069 3-Hydroxy-beta-calacorene 88.57
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 88.57
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 88.57
C00021314 Podocephalol 88.57
C00037265 Herbertenone B
(-)-Herbertenone B		 88.57
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 88.57
C00042682 Laur-11-en-2,10-diol 88.57
C00049539 Thalictroidine 88.57
C00045887 Enokipodin A
(+)-Enokipodin A		 86.84
C00020075 5-Hydroxy-8-methoxycalamenene 86.49
C00020079 3-Hydroxy-14-calamenoic acid 86.49
C00020168 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one 86.49
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 86.49
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 86.49
C00020185 (1S,4S)-7-Methoxycalamenen-3-one 86.49
C00020773 (1S,4R)-7-Methoxycalamenen-4-ol 86.49
C00037241 Heliannuol D
(+)-Heliannuol D		 86.49
C00037244 Heliannuol G
(-)-Heliannuol G		 86.49
C00042683 Laurentristich-4-ol 86.49
C00011636 Sydonol 86.11
C00011685 Perezone
(R)-2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione		 86.11
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol		 86.11
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		 86.11
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 86.11
C00012560 [2S-(2alpha,5alpha,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2,5,8,10-tetramethyl-2,5-methano-1-benzoxepin
(-)-Filiformin
Filiformin		 86.11
C00012564 (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 86.11
C00017376 8,12-Epoxy-10alpha-Eremophila-7,11-dien-9-one 86.11
C00035446 [4]-Shogaol 86.11
C00049011 Schiffnerone A
(+)-Schiffnerone A		 86.11
C00049253 Parahigginol D
(-)-Parahigginol D		 86.11
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