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


and

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




INPUT WORD = C00012541 , 50% or more
[ Metabolite Name : (-)-Herbertene , (-)-Isocuparene , Herbertene , Isocuparene , (S)-1-Methyl-3-(1,2,2-trimethylcyclopentyl)benzene ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012542 (-)-beta-Herbertenol
beta-Herbertenol
2-Hydroxyisocuparene
(S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol		 93.94
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 93.94
C00035990 (-)-gamma-Herbertenol 93.94
C00012508 (+)-Cuparene
Cuparene
(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)-benzene
(R)-Cuparene		 93.55
C00012510 (-)-Cuparene
(S)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene
(S)-(-)-Cuparene		 93.55
C00012529 gamma-Cuprenene
4-Cuprenene
Buprenene IV		 93.55
C00020072 (+)-Calamenene
(+)-cis-Calamenene		 93.55
C00020074 Calamenene
(-)-cis-Calamenene
L-Calamenene
(-)-Calamenene		 93.55
C00021313 ar-Himachalene 93.55
C00036907 cis-Calamenene 93.55
C00037928 trans-Calamenene 93.55
C00050104 gamma-Dehydro-ar-himachalene 93.55
C00011668 (S)-(+)-Elvirol 90.63
C00012534 Cyclolaurene
[1S-(1alpha,2beta,5alpha)]-1,2-Dimethyl-2-(4-methylphenyl)bicyclo[3.1.0]hexane		 90.63
C00011618 Iso-alpha-curcumene 90.32
C00012573 (-)-Epilaurene
(1R-trans)-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene		 90.32
C00020070 gamma-Calacorene 90.32
C00020199 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol 90.32
C00048328 beta-Calacorene 90.32
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol		 88.57
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 88.57
C00035991 (-)-Herbertene-1,12-diol 88.57
C00036366 1,13-Dihydroxyherbertene 88.57
C00036367 1,15-Dihydroxyherbertene 88.57
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 88.24
C00002996 (+)-8-Hydroxycalamenene 87.88
C00012504 alpha-bromocuparane
alpha-Bromocuparene
Bromocuparene
(1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene		 87.88
C00012509 gamma-Cuparenol 87.88
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 87.88
C00012514 alpha-Isocuparenol 87.88
C00012515 alpha-Cuparenol 87.88
C00020069 3-Hydroxy-beta-calacorene 87.88
C00020073 5-Hydroxycalamenene 87.88
C00021314 Podocephalol 87.88
C00034980 (-)-7-Hydroxycalamenene 87.88
C00011626 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one
1,3,5,11-Bisabolatetraen-10-one		 87.50
C00011627 1,3,5-Bisabolatrien-10-one
2-Methyl-6-(4-methylphenyl)-3-heptanone		 87.50
C00024216 Mysorenone B 87.50
C00003122 (S)-(+)-Curcumene
(S)-alpha-Curcumene		 87.10
C00011617 (R)-(-)-alpha-Curcumene
AR-Curcumene		 87.10
C00011630 beta-Curcumene
(-)-beta-Curcumene
l-beta-Curcumene		 87.10
C00012569 (1R,2S)-(+)-p-(1,2-Dimethyl-3-methylenecyclopentyl)toluene
(+)-Laurene		 87.10
C00012575 (1R-cis)-1-(1,2-dimethyl-3-methylenecyclopentyl)-4-methyl-1,4-Cyclohexadiene
Isodihydrolaurene		 87.10
C00020067 alpha-Calacorene 87.10
C00026382 2-Pentyl-1,2,3,4-tetrahydroquinoline
(R)-2-Pentyl-1,2,3,4-tetrahydroquinoline		 87.10
C00029866 Cadina-1,4-diene
Cadina-1(2),4-diene
Cubenene
Cadine-1,4-diene
cis-Cadina-1, 4-diene		 87.10
C00035764 Tenuifolene
(-)-Tenuifolene		 87.10
C00038077 (+)-gamma-Curcumene 87.10
C00042699 Ligudentatol 87.10
C00046607 alpha-Curcumene
Curcumene		 87.10
C00048313 CID is old! 87.10
C00048367 CID is old! 87.10
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