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


and

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




INPUT WORD = C00020168 , 50% or more
[ Metabolite Name : 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 94.59
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 94.59
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 91.89
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
C00020079 3-Hydroxy-14-calamenoic acid 89.19
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 89.19
C00036366 1,13-Dihydroxyherbertene 89.19
C00037239 Heliannuol A
(-)-Heliannuol A		 89.19
C00037240 Heliannuol C
(-)-Heliannuol C		 89.19
C00049723 Heliannuol K
(+)-Heliannuol K		 89.19
C00030729 Mansonone O
(-)-Mansonone O		 87.18
C00046123 Mansonone Q
(+)-Mansonone Q		 87.18
C00012942 (-)-Yomogin
[3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 86.84
C00020097 Heritol 86.84
C00020101 Hibiscone D 86.84
C00020952 Ferulin 86.84
C00040050 Populene A
(+)-Populene A		 86.84
C00040051 Populene B
(-)-Populene B		 86.84
C00012525 Lagopodin A 86.49
C00012544 (S)-4-Hydroxy-3-(1,2,2-trimethylcyclopentyl)benzaldehyde
(-)-alpha-Formylherbertenol		 86.49
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 86.49
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 86.49
C00012845 1-keto-alpha-Cyperone 86.49
C00020069 3-Hydroxy-beta-calacorene 86.49
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 86.49
C00020116 Lacinilene C 86.49
C00020185 (1S,4S)-7-Methoxycalamenen-3-one 86.49
C00020202 3-Methoxy-14-nor-10-calamenenone 86.49
C00020773 (1S,4R)-7-Methoxycalamenen-4-ol 86.49
C00020909 Geigeriafulvenolide 86.49
C00022002 Cyperusol A1 86.49
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 86.49
C00030730 Mansonone S 86.49
C00036367 1,15-Dihydroxyherbertene 86.49
C00040670 Wutaipyranol
(+)-Wutaipyranol		 86.49
C00041709 Oculatol
(+)-Oculatol		 86.49
C00042683 Laurentristich-4-ol 86.49
C00043340 Canusesnol A
(-)-Canusesnol A		 86.49
C00046403 Sesquichamaenol 86.49
C00020178 3-Acetoxy-8-calamenenone
(1S,4R)-7-Acetoxycalamenen-3-one		 85.37
C00037246 Heliannuol I
(-)-Heliannuol I		 85.00
C00039357 Heliannuol J
(+)-Heliannuol J		 85.00
C00045889 Enokipodin C
(-)-Enokipodin C		 85.00
C00020080 3-Methoxy-14-calamenoic acid 84.62
C00031686 Codonopyrrolidium B
(+)-Codonopyrrolidium B		 84.62
C00037243 Heliannuol F
(+)-Heliannuol F		 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
C00012559 (2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Caraibical		 84.21
C00012561 (2alpha,5beta,10S*)-(-)-7-bromo-4,5-dihydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin-2(3H)-methanol
Filiforminol		 84.21
C00012944 Virginin
[3S-(3alpha,3abeta,4abeta,8aalpha,9abeta)]-3a,4a,5,8a,9,9a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 84.21
C00017439 2-Oxo-eremophila-1(10),11(13)-dien-12,8beta-olide 84.21
C00020951 3-Oxo-4-guaien-12,8beta-olide 84.21
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