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


and

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




INPUT WORD = C00021659 , 50% or more
[ Metabolite Name : 7-Hydroxy-10-dehydroxydehydrodihydrobotrydial ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00045507 10-Oxodehydrodihydrobotrydial
(+)-10-Oxodehydrodihydrobotrydial		 94.44
C00021655 7-Hydroxy-10-oxodehydrodihydrobotrydial 92.11
C00021656 7,10-Dihydroxydehydrodihydrobotrydial 92.11
C00021571 Dehydrobotrydienal 91.67
C00046716 Dehydrobotrydienol
(-)-Dehydrobotrydienol		 91.67
C00046551 11-Hydroxydehydrobotrydienol
(-)-11-Hydroxydehydrobotrydienol		 89.19
C00046557 12-Hydroxydehydrobotrydienol
(+)-12-Hydroxydehydrobotrydienol		 89.19
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 88.89
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
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 86.49
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 86.49
C00046122 Mansonone P
(-)-Mansonone P		 86.49
C00002840 Mansonone C 86.11
C00010844 7-Isobutyryloxythymol methyl ether 86.11
C00011671 Furoixiolal 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
C00020090 Cadalenequinone
Stahlianthusone
8-Isopropyl-2,5-dimethyl-1,4-naphthoquinone		 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
C00036366 1,13-Dihydroxyherbertene 86.11
C00042167 7,10-Epoxy-ar-bisabol-11-ol 86.11
C00020232 3-Hydroxy-6-methoxyprimnatrienone 84.62
C00020234 6-Methoxy-1,3-primnatrienedione 84.62
C00012553 Aplysinol
[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol		 84.21
C00012554 [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde
Aplysinal		 84.21
C00020123 Mansonone G 83.78
C00037241 Heliannuol D
(+)-Heliannuol D		 83.78
C00011636 Sydonol 83.33
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 83.33
C00011901 ar-Pseudotsugonal
(R)-4-(1,5-Dimethyl-3-oxohexyl)-benzaldehyde		 83.33
C00011943 Himaphenolone
Himasecolone		 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
C00012514 alpha-Isocuparenol 83.33
C00012515 alpha-Cuparenol 83.33
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 83.33
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol		 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
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		 83.33
C00012560 [2S-(2alpha,5alpha,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2,5,8,10-tetramethyl-2,5-methano-1-benzoxepin
(-)-Filiformin
Filiformin		 83.33
C00012564 (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 83.33
C00020092 Dihydrostahlianthusone 83.33
C00020254 Jungianol 83.33
C00020255 Mutisianthol 83.33
C00020772 (1S)-7-Methoxy-1,2-dihydrocadalene 83.33
C00021114 2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol 83.33
C00021314 Podocephalol 83.33
C00021503 Pterosin J 83.33
C00021570 Botrydienal 83.33
C00021658 7-Hydroxy-10-ethoxydehydrodihydrobotrydial 83.33
C00021662 4,10-Didehydroxy-7-hydroxydeacetyldihydrobotrydial-1(10),5(9)-diene 83.33
C00034610 Myrrhone 83.33
C00040139 R-(-)-alpha-Cuparenone
(-)-R-(-)-alpha-Cuparenone		 83.33
C00041709 Oculatol
(+)-Oculatol		 83.33
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 83.33
C00045658 Aristelegone D
(-)-Aristelegone D		 83.33
C00049250 Parahigginol A
(-)-Parahigginol A		 83.33
Page Top