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


and

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




INPUT WORD = C00050185 , 50% or more
[ Metabolite Name : Petasinol , (+)-Petasinol ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00050187 Petasone B
(-)-Petasone B		 95.92
C00050186 Petasone A
(+)-Petasone A		 93.88
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 91.84
C00017012 Neo-S-petasin 91.84
C00017403 S-Petasitolide B 90.00
C00003169 Petasin 89.80
C00017402 S-Petasitolide A 88.00
C00012696 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid		 87.76
C00016967 Petasitin 87.76
C00017015 S-Japonin 87.76
C00050236 S-Petasitin 87.76
C00012174 Hallerin 85.71
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 85.71
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 85.71
C00020238 Petasipalin A 85.71
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 85.71
C00021686 Salonitenolide 8-O-angelate 85.71
C00021701 9beta-(2-Methyl butyryloxy)-costunolide 85.71
C00022224 (E)-ent-2alpha-17-Dihydroxy-7,13-labdienepentenoic acid 85.71
C00037366 Kanshone F
(-)-Kanshone F		 85.71
C00045179 3beta-Hydroxy-5alpha-pregn-16-en-20-one
(+)-3beta-Hydroxy-5alpha-pregn-16-en-20-one		 85.71
C00000214 Gibberellin A10
GA10		 84.62
C00011816 8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide 84.31
C00033551 2beta,3beta-Dihydroxy-5alpha-pregn-17(Z)-en-16-one 84.31
C00000009 Gibberellin A9
GA9		 84.00
C00012868 Subcordatolide C
[3aR-(3aalpha,4alpha,4aalpha,8beta,8abeta,9aalpha)]-Dodecahydro-8-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid		 84.00
C00017400 Petasitolide A 84.00
C00017401 Petasitolide B 84.00
C00017414 [4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 84.00
C00038123 10-Hydroxykahukuene B
(+)-10-Hydroxykahukuene B		 84.00
C00038290 5-Dehydrosinularolide 84.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H		 84.00
C00000273 Nagilactone F 83.67
C00002249 Funtumine 83.67
C00003176 PR toxin 83.67
C00003216 Arctolide 83.67
C00012687 [1R-(1alpha,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol diacetate
Austradiol diacetate		 83.67
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 83.67
C00012849 Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid 83.67
C00016972 Eremofortin A 83.67
C00017417 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane 83.67
C00017419 6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane 83.67
C00017798 Aggreceride C 83.67
C00020253 2alpha-Angeloxyanhydrooplopanone 83.67
C00021382 Linkiol 83.67
C00021410 Vaginatin
Crispanone		 83.67
C00021702 9beta-Isovaleryloxy costunolide 83.67
C00022139 Albocycline M-1 83.67
C00022785 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene 83.67
C00023445 Friedolabdaturbinic acid 83.67
C00023449 1(10),13E-Halimadiene-15,18-dioic acid 83.67
C00028527 Lycoposerramine N 83.67
C00030916 Pacificin L
(-)-Pacificin L		 83.67
C00030928 Paralemnolin H
(-)-Paralemnolin H		 83.67
C00040224 Sarcostolide G
(+)-Sarcostolide G		 83.67
C00041819 Sagittine G
(-)-Sagittine G		 83.67
C00041885 Stereonsteroid A
(+)-Stereonsteroid A		 83.67
C00042816 Pacificin D
(-)-Pacificin D		 83.67
C00044736 Eiseniachloride C
(-)-Eiseniachloride C		 83.67
C00046880 Rosololactone 83.67
C00046901 Sarcopetalolide
(+)-Sarcopetalolide		 83.67
C00046902 Sarcopetalololide
(+)-Sarcopetalololide		 83.67
C00047064 Lobohedleolide
(+)-Lobohedleolide		 83.67
C00048665 Clavirolide C 83.67
C00049995 Aplykurodin B
(-)-Aplykurodin B		 83.67
C00049996 Aplykurodinone B 83.67
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