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


and

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




INPUT WORD = C00045507 , 50% or more
[ Metabolite Name : 10-Oxodehydrodihydrobotrydial , (+)-10-Oxodehydrodihydrobotrydial ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021571 Dehydrobotrydienal 97.22
C00046716 Dehydrobotrydienol
(-)-Dehydrobotrydienol		 97.22
C00021655 7-Hydroxy-10-oxodehydrodihydrobotrydial 94.74
C00021656 7,10-Dihydroxydehydrodihydrobotrydial 94.74
C00046551 11-Hydroxydehydrobotrydienol
(-)-11-Hydroxydehydrobotrydienol		 94.59
C00046557 12-Hydroxydehydrobotrydienol
(+)-12-Hydroxydehydrobotrydienol		 94.59
C00021659 7-Hydroxy-10-dehydroxydehydrodihydrobotrydial 94.44
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 88.89
C00021570 Botrydienal 88.89
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 86.49
C00020231 6-Methoxyprimnatrienone 86.49
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 86.49
C00010986 1,1,5-Trimethyl-2-formyl-4-(3-methyl-2-butenoyloxy)-2,5-cyclohexadiene 86.11
C00012567 cis-(-)-2-[2-(Bromomethylene)-1,3-dimethylcyclopentyl]-5-methylphenol
(-)-Isolaurenisol
Isolaurenisol		 86.11
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 86.11
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 86.11
C00036310 (+)-Gynunone 86.11
C00046922 Secobotrytriendiol
(+)-Secobotrytriendiol		 86.11
C00021658 7-Hydroxy-10-ethoxydehydrodihydrobotrydial 85.71
C00021657 7-Hydroxy-10-methoxydehydrodihydrobotrydial 85.00
C00012531 (-)-Tochuinyl acetate
Tochuinol acetate
Tochuinyl acetate		 84.62
C00012532 (1R,2R)-1,2-Dimethyl-2-(4-methyl-1,4-cyclohexadien-1-yl)cyclopentanemethanol acetate
Dihydrotochuinyl acetate		 84.62
C00020097 Heritol 84.21
C00042561 CID is old! 84.21
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 83.78
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 83.78
C00037239 Heliannuol A
(-)-Heliannuol A		 83.78
C00037241 Heliannuol D
(+)-Heliannuol D		 83.78
C00049723 Heliannuol K
(+)-Heliannuol K		 83.78
C00002410 Toxol 83.33
C00002768 Prenyl cafeate 83.33
C00002990 Flossonol 83.33
C00010982 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate 83.33
C00011623 (+-)-(E)-Nuciferol
(+-)-Nuciferol		 83.33
C00011624 (+)-Nuciferal
(E)-Nuciferal
(E,S)-(+)-Nuciferal		 83.33
C00011636 Sydonol 83.33
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 83.33
C00011943 Himaphenolone
Himasecolone		 83.33
C00012505 (1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol 83.33
C00012513 (S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Cyclopentanone, 2,2,3-trimethyl-3-p-tolyl-, (S)-(+)-
(+)-alpha-Cuparenone
(+)-Cuparenone
alpha-Cuparenone		 83.33
C00012516 (+)-beta-Cuparenone
beta-Cuparenone
beta-Cuparenone		 83.33
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 83.33
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		 83.33
C00012568 Isolaurinterol
(1R-cis)-4-Bromo-2-(1,3-dimethyl-2-methylenecyclopentyl)-5-methylphenol		 83.33
C00012580 Laurenisol 83.33
C00016047 NI 15501A 83.33
C00020090 Cadalenequinone
Stahlianthusone
8-Isopropyl-2,5-dimethyl-1,4-naphthoquinone		 83.33
C00020710 Tannunolide B 83.33
C00020711 Tannunolide A 83.33
C00021114 2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol 83.33
C00021478 7,12-Dihydroxysterpurene 83.33
C00023717 Pyriculariol 83.33
C00033917 Hofmeisterin III 83.33
C00040139 R-(-)-alpha-Cuparenone
(-)-R-(-)-alpha-Cuparenone		 83.33
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 83.33
C00042167 7,10-Epoxy-ar-bisabol-11-ol 83.33
C00042560 Globosumone A 83.33
C00045658 Aristelegone D
(-)-Aristelegone D		 83.33
C00049250 Parahigginol A
(-)-Parahigginol A		 83.33
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