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


and

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




INPUT WORD = C00012686 , 50% or more
[ Metabolite Name : Austradiol acetate , [1R-(1a,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol 8-acetate ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012784 [1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol 93.02
C00045183 4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
(+)-4alpha-Hydroxy-5beta-acetoxy-epi-cubenol		 93.02
C00020387 8alpha-Acetoxydolichlasin 90.70
C00020406 11-Acetoxy-10(14)-guaien-4alpha-ol 90.70
C00023379 (8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane 90.70
C00012869 Dihydro-beta-cyclopyrethrosin
[3R-(3alpha,3aalpha,4alpha,4aalpha,8beta,8abeta,9abeta)]-4-(Acetyloxy)decahydro-8-hydroxy-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan-2(3H)-one		 89.13
C00013053 1alpha-Acetoxy-11beta(H),13-dihydrodouglanin
[3S-(3alpha,3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-6-(Acetyloxy)-3a,4,5,5a,6,7,9a,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 88.64
C00013057 beta-Cyclotulipinolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 88.64
C00012001 8-Acetoxyelemol
8alpha-Acetoxyelemol		 88.37
C00012037 Epitulipdienolide
Elemanolide		 88.37
C00012070 Shiromodiol monoacetate 88.37
C00012699 [4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone 88.37
C00012774 [1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate 88.37
C00012998 [3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one 88.37
C00013003 1beta-Hydroxyarbusculin A
[3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 88.37
C00013004 Dendroserin
[3S-(3alpha,3aalpha,5abeta,6beta,9beta,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 88.37
C00013024 Dimerostemmolide
[3aR-(3aalpha,4alpha,5abeta,6alpha,9beta,9aalpha,9bbeta)]-Decahydro-4,6-dihydroxy-5a-methyl-3-methylenespiro[naphtho[1,2-b]furan-9(2H),2'-oxiran]-2-one		 88.37
C00013027 Ludovicin A
[1aR-(1aalpha,3beta,3aalpha,5abeta,8aalpha,8bbeta,8calpha)]-Decahydro-3-hydroxy-3a,8c-dimethyl-6-methyleneoxireno[7,8]naphtho[1,2-b]furan-7(2H)-one		 88.37
C00013028 Epoxysantamarin
[1aR-(1aalpha,3alpha,3aalpha,5abeta,8aalpha,8bbeta,8calpha)]-Decahydro-3-hydroxy-3a,8c-dimethyl-6-methyleneoxireno[7,8]naphtho[1,2-b]furan-7(2H)-one		 88.37
C00013029 Maritimin (sesquiterpene)
[3aR-(3aalpha,5abeta,6beta,8aalpha,8bR*,9aalpha)]-Hexahydro-3a,6,9a-trimethyl-2H-oxireno[8,8a]naphtho[1,2-b]furan-3,7(3aH,6H)-dione		 88.37
C00013083 Shonachalin B
Decahydro-3-hydroxy-3a,6,8c-trimethyloxireno[7,8]naphtho[1,2-b]furan-7(2H)-one		 88.37
C00013095 Decipienin E
(3alpha,3abeta,5aalpha,6beta,9alpha,9abeta,9balpha)-3a,4,5,5a,6,9,9a,9b-Octahydro-3,6,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 88.37
C00017513 Fauronyl acetate 88.37
C00020302 Altiloxin B 88.37
C00020354 Cyclokessyl acetate 88.37
C00020355 6beta-Acetoxy-1beta-hydroxy-4,11-guaiadien-3-one 88.37
C00020363 Liguloxidol acetate 88.37
C00021235 9beta-Acetoxy-10(14)-aromadendren-4beta-ol 88.37
C00021594 11-Acetoxy-2-bromo-3-hydroxy-beta-chamigrene 88.37
C00022765 Isoabienol 88.37
C00023341 ent-14-Labden-8beta-ol 88.37
C00034373 1beta-Hydroxy-11-epi-colartrin 88.37
C00037348 Itomanallene B 88.37
C00039299 Guai-6-ene 88.37
C00041308 Acetyl neobritannilactone B 88.37
C00042880 Pulicanadienal B
(+)-Pulicanadienal B		 88.37
C00050152 Madolin D
(+)-Madolin D		 88.37
C00012687 [1R-(1alpha,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol diacetate
Austradiol diacetate		 87.76
C00021619 Acetoxyintricatol 87.23
C00012866 (+)-beta-Cyclopyrethrosin
beta-Cyclopyrethrosin
[3aR-(3aalpha,4alpha,4aalpha,8beta,8abeta,9abeta)]-4-(Acetyloxy)decahydro-8-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 86.96
C00012982 beta-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one		 86.96
C00012997 Nitrosin
[3R-(3alpha,3abeta,5aalpha,6alpha,9abeta,9balpha)]-6-(Acetyloxy)decahydro-9a-hydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.96
C00020930 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide 86.96
C00042714 Luzodiol
(+)-Luzodiol		 86.96
C00011562 12-Hydroxypalisadin B acetate 86.67
C00011783 Chihuahuin 86.67
C00012221 Argentiolide B 86.67
C00012333 Chrysanolide
Tamirin acetate		 86.67
C00003172 (-)-Phytuberin
Phytuberin
(3aR,5aS,8R,9aR)-5,5a,6,7,8,9-Hexahydro-a,a,3a,5a-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8-methanol acetate		 86.36
C00012922 Acetoxydiplophyllin
[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 86.36
C00012933 [3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-6-(Acetyloxy)-3a,4,4a,5,6,8a,9,9a-octahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one 86.36
C00013043 [3aS-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
2alpha-Acetoxysphaerantholide		 86.36
C00013048 [3aS-(3aalpha,5beta,5abeta,9balpha)]-5-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
9beta-Acetoxytournefortiolide		 86.36
C00021695 Acetylivalin 86.36
C00022331 8-Epimanoyl oxide 86.36
C00022332 8,13-Diepimanoyl oxide 86.36
C00022333 13-epi-Manoyl oxide
13-Epimanoyl oxide
Epimanoyl oxide		 86.36
C00022675 14-Acetoxy-11alpha,13-dihydrodesoxyivangustin 86.36
C00023391 Sidnutol 86.36
C00023459 13(16),14-Gnaphaladien-8alpha-ol 86.36
C00034873 Manool oxide
Manoyl oxide
(+)-Manoyl oxide		 86.36
C00043487 ent-13-epi-Manoyl oxide
(-)-ent-13-epi-Manoyl oxide		 86.36
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