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


and

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




INPUT WORD = C00050187 , 50% or more
[ Metabolite Name : Petasone B , (-)-Petasone B ]
Number of matched data : 87

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00050186 Petasone A
(+)-Petasone A		 97.96
C00050185 Petasinol
(+)-Petasinol		 95.92
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
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 86.00
C00017367 3beta-Angeloyloxyfuranoeremophilane 85.71
C00017435 6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one 85.71
C00017400 Petasitolide A 84.00
C00017401 Petasitolide B 84.00
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 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
C00017425 [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 84.00
C00017417 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane 83.67
C00017419 6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane 83.67
C00017426 6beta-(2-Methylacryloyloxy)-9-oxoeuryopsin 83.67
C00020238 Petasipalin A 83.67
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 83.67
C00037366 Kanshone F
(-)-Kanshone F		 83.67
C00038578 Barbiacoradienone 83.67
C00049094 6beta-Isobutyryloxysenberginone 83.67
C00049995 Aplykurodin B
(-)-Aplykurodin B		 83.67
C00049996 Aplykurodinone B 83.67
C00017415 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid 82.69
C00045932 Ferupennin A
(+)-Ferupennin A		 82.69
C00045933 Ferupennin B
(+)-Ferupennin B		 82.69
C00017008 Isosenescaposone 82.46
C00016973 Eremofortin E 82.35
C00032495 Viteagnusin B
(+)-Viteagnusin B		 82.35
C00000421 Agardhilactone
(-)-Agardhilactone
(5S,6S,8S,9R,10R,18S)-Agardhilactone		 82.00
C00012905 [4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester3-methylbutanoic acid 82.00
C00017308 NSC 302301 82.00
C00017346 Furanopetasine 82.00
C00017354 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 82.00
C00017358 [4S-[4alpha(Z),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 82.00
C00017365 [4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid 82.00
C00017413 6beta-Angeloyloxy-10alphaH-9-oxofuranoeremophilane 82.00
C00017418 [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-methyl-2-butenoic acid 82.00
C00022064 17-Hydroxyisogutiesolbriolide 82.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H		 82.00
C00041483 Deacetylvitexilactone
(+)-Deacetylvitexilactone		 82.00
C00049435 Bipinnatin J
(-)-Bipinnatin J		 82.00
C00050374 Leopersin G
(+)-Leopersin G		 82.00
C00000273 Nagilactone F 81.63
C00002249 Funtumine 81.63
C00012174 Hallerin 81.63
C00012848 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(2-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 81.63
C00012849 Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid 81.63
C00012850 Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid 81.63
C00016971 Eremofortin C 81.63
C00017320 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid 81.63
C00017364 Furanojaponin 81.63
C00017366 [4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid 81.63
C00017370 Albopetasin
Albopetasine		 81.63
C00017381 [4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 81.63
C00017424 Adenostylone 81.63
C00017798 Aggreceride C 81.63
C00020253 2alpha-Angeloxyanhydrooplopanone 81.63
C00021382 Linkiol 81.63
C00021686 Salonitenolide 8-O-angelate 81.63
C00021701 9beta-(2-Methyl butyryloxy)-costunolide 81.63
C00022041 Dimerobrasiolide 81.63
C00022139 Albocycline M-1 81.63
C00022141 Albocycline M-5 81.63
C00022144 Albocycline M-3 81.63
C00022224 (E)-ent-2alpha-17-Dihydroxy-7,13-labdienepentenoic acid 81.63
C00022268 Hispanolone 81.63
C00022357 8alpha,12S-Epoxy-13E-labden-1beta,6beta-diol 81.63
C00022430 16-Hydroxy-6-oxo-7,ent-13E-labdasien-15-oic acid 81.63
C00023419 Methyl 15-hydroxy-7-labden-17-oate 81.63
C00023486 Haplopappic acid 81.63
C00028527 Lycoposerramine N 81.63
C00030558 Jaspolide C 81.63
C00030559 Jaspolide D 81.63
C00033535 18-Hydroxyhugorosenone
(+)-18-Hydroxyhugorosenone		 81.63
C00040222 Sarcostolide E
(-)-Sarcostolide E		 81.63
C00040223 Sarcostolide F
(+)-Sarcostolide F		 81.63
C00040788 2,3-Dihydroxypropyl 16-hydroxyhexadecanoate 81.63
C00042883 Pulicanadiene C
(-)-Pulicanadiene C		 81.63
C00045179 3beta-Hydroxy-5alpha-pregn-16-en-20-one
(+)-3beta-Hydroxy-5alpha-pregn-16-en-20-one		 81.63
C00049946 3-epi-Aplykurodinone B
(-)-3-epi-Aplykurodinone B		 81.63
Page Top