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


and

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




INPUT WORD = C00012546 , 50% or more
[ Metabolite Name : Herbertenolide , (3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00036367 1,15-Dihydroxyherbertene 97.22
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol		 94.44
C00036366 1,13-Dihydroxyherbertene 94.44
C00012533 Cuparenic acid 91.67
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 91.67
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 91.67
C00045887 Enokipodin A
(+)-Enokipodin A		 89.47
C00045888 Enokipodin B
(-)-Enokipodin B		 89.19
C00011943 Himaphenolone
Himasecolone		 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
C00012542 (-)-beta-Herbertenol
beta-Herbertenol
2-Hydroxyisocuparene
(S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol		 88.89
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 88.89
C00013204 Secocrispiolide
(S)-4-[(2,6-Dimethylphenyl)methyl]tetrahydro-3-methylene-2H-pyran-2-one		 88.89
C00035991 (-)-Herbertene-1,12-diol 88.89
C00045507 10-Oxodehydrodihydrobotrydial
(+)-10-Oxodehydrodihydrobotrydial		 88.89
C00012553 Aplysinol
[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol		 86.84
C00012554 [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde
Aplysinal		 86.84
C00012559 (2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Caraibical		 86.84
C00012561 (2alpha,5beta,10S*)-(-)-7-bromo-4,5-dihydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin-2(3H)-methanol
Filiforminol		 86.84
C00012524 Deoxyhelicobasidin 86.49
C00012558 (1R-cis)-4-Bromo-2-[3-(hydroxymethyl)-1,2-dimethyl-3-cyclopenten-1-yl]-5-methylphenol
10-Bromo-3-laurene-7,12-diol		 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
C00020428 Parishin B 86.49
C00037239 Heliannuol A
(-)-Heliannuol A		 86.49
C00037240 Heliannuol C
(-)-Heliannuol C		 86.49
C00037244 Heliannuol G
(-)-Heliannuol G		 86.49
C00049723 Heliannuol K
(+)-Heliannuol K		 86.49
C00010844 7-Isobutyryloxythymol methyl ether 86.11
C00011635 (+)-Curcudiol
(S)-(+)-Curcudiol
Curcudiol		 86.11
C00011636 Sydonol 86.11
C00011668 (S)-(+)-Elvirol 86.11
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 86.11
C00012415 [2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal 86.11
C00012509 gamma-Cuparenol 86.11
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 86.11
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 86.11
C00012541 (-)-Herbertene
(-)-Isocuparene
Herbertene
Isocuparene
(S)-1-Methyl-3-(1,2,2-trimethylcyclopentyl)benzene		 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
C00012552 (-)-Debromoaplysin
Debromoaplysin
[3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-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
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol		 86.11
C00012580 Laurenisol 86.11
C00013036 Gazaniolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.11
C00013567 (+)-Farfugin A
(9S)-6,7,8,9-Tetrahydro-3,5,9-trimethylnaphtho[1,2-b]furan		 86.11
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 86.11
C00020710 Tannunolide B 86.11
C00020711 Tannunolide A 86.11
C00021252 Furanoplagiochilal 86.11
C00021331 Dehydropinguisenol 86.11
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 86.11
C00033917 Hofmeisterin III 86.11
C00035990 (-)-gamma-Herbertenol 86.11
C00036200 Plicatin B 86.11
C00037163 Furanopinguisanol 86.11
C00037264 Herbertenone A
(-)-Herbertenone A		 86.11
C00039203 CID is old! 86.11
C00041709 Oculatol
(+)-Oculatol		 86.11
C00045546 2-Methoxy-6-heptyl-1,4-benzoquinone 86.11
C00046403 Sesquichamaenol 86.11
C00049011 Schiffnerone A
(+)-Schiffnerone A		 86.11
C00049250 Parahigginol A
(-)-Parahigginol A		 86.11
C00050106 Gibbilimbol A 86.11
C00050107 Gibbilimbol B 86.11
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