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


and

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




INPUT WORD = C00012542 , 50% or more
[ Metabolite Name : (-)-beta-Herbertenol , beta-Herbertenol , 2-Hydroxyisocuparene , (S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 96.97
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 96.97
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 94.12
C00012541 (-)-Herbertene
(-)-Isocuparene
Herbertene
Isocuparene
(S)-1-Methyl-3-(1,2,2-trimethylcyclopentyl)benzene		 93.94
C00020069 3-Hydroxy-beta-calacorene 93.94
C00020073 5-Hydroxycalamenene 93.94
C00020255 Mutisianthol 93.94
C00034980 (-)-7-Hydroxycalamenene 93.94
C00035990 (-)-gamma-Herbertenol 93.94
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 91.43
C00036367 1,15-Dihydroxyherbertene 91.43
C00011668 (S)-(+)-Elvirol 90.91
C00012504 alpha-bromocuparane
alpha-Bromocuparene
Bromocuparene
(1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene		 90.91
C00012508 Cuparene
(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)-benzene
(+)-Cuparene
(R)-Cuparene		 90.91
C00012509 gamma-Cuparenol 90.91
C00012510 (S)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene
(-)-Cuparene
(S)-(-)-Cuparene		 90.91
C00012514 alpha-Isocuparenol 90.91
C00012515 alpha-Cuparenol 90.91
C00012529 gamma-Cuprenene
4-Cuprenene
Buprenene IV		 90.91
C00012534 Cyclolaurene
[1S-(1alpha,2beta,5alpha)]-1,2-Dimethyl-2-(4-methylphenyl)bicyclo[3.1.0]hexane		 90.91
C00020068 3-Hydroxy-alpha-calacorene 90.91
C00020199 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol 90.91
C00020254 Jungianol 90.91
C00021314 Podocephalol 90.91
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol		 88.89
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 88.89
C00012506 Cupalaurenol
(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol		 88.57
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 88.57
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 88.57
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 88.57
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 88.57
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 88.57
C00036366 1,13-Dihydroxyherbertene 88.57
C00011943 Himaphenolone
Himasecolone		 88.24
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 88.24
C00021942 Pallescensin C 88.24
C00002996 (+)-8-Hydroxycalamenene 87.88
C00011558 Microcionin 3 87.88
C00011618 Iso-alpha-curcumene 87.88
C00011622 (R)-(-)-Xanthorrhizol
(R)-5-(1,5-Dimethyl-4-hexenyl)-o-cresol
Xanthorrhizol		 87.88
C00012513 (S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Cyclopentanone, 2,2,3-trimethyl-3-p-tolyl-, (S)-(+)-
(+)-alpha-Cuparenone
(+)-Cuparenone
alpha-Cuparenone		 87.88
C00012516 (+)-beta-Cuparenone
beta-Cuparenone
beta-Cuparenone		 87.88
C00012556 (1S-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methyl-1,4-cyclohexadiene
12-Bromo-4(13),6,9-lauratriene		 87.88
C00012557 (1R-cis)-1-[3-(Bromomethyl)-1-methyl-2-methylenecyclopentyl]-4-methylbenzene
12-Bromo-4(13),6,8,10-lauratetracene		 87.88
C00012573 (-)-Epilaurene
(1R-trans)-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene		 87.88
C00012577 (1R-cis)-2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol
7-Hydroxylaurene
Debromoallolaurinterol		 87.88
C00012761 1,2-Dehydro-alpha-cyperone
(+)-Eudesma-1,4,11-trien-3-one
(4aS-cis)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone		 87.88
C00020072 (+)-Calamenene
(+)-cis-Calamenene		 87.88
C00020074 Calamenene
(-)-cis-Calamenene
L-Calamenene
(-)-Calamenene		 87.88
C00021313 ar-Himachalene 87.88
C00021949 Parvifolin 87.88
C00024216 Mysorenone B 87.88
C00036514 3,4-Methylenedioxycinnamylideneacetone 87.88
C00036907 cis-Calamenene 87.88
C00037928 trans-Calamenene 87.88
C00042699 Ligudentatol 87.88
C00043014 Sohirnone A 87.88
C00045658 Aristelegone D
(-)-Aristelegone D		 87.88
C00050104 gamma-Dehydro-ar-himachalene 87.88
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