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


and

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




INPUT WORD = C00020177 , 50% or more
[ Metabolite Name : 3-Hydroxy-8-calamenenone , (1S,4R)-7-Hydroxycalamenen-3-one ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 97.14
C00034980 (-)-7-Hydroxycalamenene 94.29
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 91.89
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 91.89
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 91.89
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 91.89
C00002996 (+)-8-Hydroxycalamenene 91.43
C00011901 ar-Pseudotsugonal
(R)-4-(1,5-Dimethyl-3-oxohexyl)-benzaldehyde		 91.43
C00012512 2,3-Dihydroxycuparene
(S)-3-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 91.43
C00020069 3-Hydroxy-beta-calacorene 91.43
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 91.43
C00020210 6-Hydroxyprimnatrienone 91.43
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 91.43
C00036366 1,13-Dihydroxyherbertene 91.43
C00042682 Laur-11-en-2,10-diol 91.43
C00012525 Lagopodin A 89.19
C00020116 Lacinilene C 89.19
C00020168 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one 89.19
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 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
C00003149 Hydroxyisopatchoulenone 88.57
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 88.57
C00012542 (-)-beta-Herbertenol
beta-Herbertenol
2-Hydroxyisocuparene
(S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol		 88.57
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 88.57
C00020068 3-Hydroxy-alpha-calacorene 88.57
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 88.57
C00020200 3-Methoxy-14-norcalamenene 88.57
C00020202 3-Methoxy-14-nor-10-calamenenone 88.57
C00020417 11-Hydroxy-4-guaien-3-one 88.57
C00020772 (1S)-7-Methoxy-1,2-dihydrocadalene 88.57
C00035991 (-)-Herbertene-1,12-diol 88.57
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 88.57
C00042167 7,10-Epoxy-ar-bisabol-11-ol 88.57
C00042434 Cyclolauren-2-ol
(+)-Cyclolauren-2-ol		 88.57
C00049250 Parahigginol A
(-)-Parahigginol A		 88.57
C00030729 Mansonone O
(-)-Mansonone O		 87.18
C00046123 Mansonone Q
(+)-Mansonone Q		 87.18
C00020075 5-Hydroxy-8-methoxycalamenene 86.49
C00020079 3-Hydroxy-14-calamenoic acid 86.49
C00020185 (1S,4S)-7-Methoxycalamenen-3-one 86.49
C00020231 6-Methoxyprimnatrienone 86.49
C00020773 (1S,4R)-7-Methoxycalamenen-4-ol 86.49
C00030730 Mansonone S 86.49
C00037240 Heliannuol C
(-)-Heliannuol C		 86.49
C00037241 Heliannuol D
(+)-Heliannuol D		 86.49
C00037244 Heliannuol G
(-)-Heliannuol G		 86.49
C00011636 Sydonol 86.11
C00011685 Perezone
(R)-2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione		 86.11
C00012535 Cyclolaurenol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol		 86.11
C00012538 [1S-(1alpha,2beta,5alpha)]-2-Bromo-6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-3-methylphenol
Neolaurinterol		 86.11
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 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
C00021659 7-Hydroxy-10-dehydroxydehydrodihydrobotrydial 86.11
C00045507 10-Oxodehydrodihydrobotrydial
(+)-10-Oxodehydrodihydrobotrydial		 86.11
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