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


and

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




INPUT WORD = C00003176 , 50% or more
[ Metabolite Name : PR toxin ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00016971 Eremofortin C 97.96
C00017325 Eremofortin D 96.00
C00016972 Eremofortin A 95.92
C00016973 Eremofortin E 94.12
C00021098 Gaillardilin 89.80
C00003216 Arctolide 87.76
C00021097 Parthoximenthine 87.76
C00021176 Flexuosin A 87.76
C00032956 Eupaglehnin E
(+)-Eupaglehnin E		 87.76
C00040199 Salograviolide B 87.76
C00020847 8alpha-Acetoxy-3alpha,4alpha,10beta-trihydroxy-1-guaien-12,6alpha-olide 86.00
C00003380 epi-Tulipinolide diepoxide 85.71
C00011783 Chihuahuin 85.71
C00012367 Litseaculane 85.71
C00012496 10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Naematolin B		 85.71
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		 85.71
C00012873 Pulchellin E
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-6-(Acetyloxy)decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 85.71
C00012883 [3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one 85.71
C00012961 Montathanolide
[3aS-(3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 85.71
C00013060 (+)-Artegallin
Artegallin
[3R-(3alpha,3abeta,5aalpha,6beta,9balpha)]-6-(Acetyloxy)-3a,5,5a,6,7,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 85.71
C00020515 Kandavanolide
8beta-Hydroxyzaluzanin D		 85.71
C00020587 Arteglasin B 85.71
C00020599 Artefransin 85.71
C00020860 9beta-Hydroxykandavanolide 85.71
C00033645 Anthemolide A 85.71
C00042062 1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
(-)-1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide		 85.71
C00045371 Phomadecalin B
(+)-Phomadecalin B		 85.71
C00020890 Arctodecurrolide 84.00
C00026206 (-)-Iodanthine 84.00
C00038961 Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H		 84.00
C00000313 Xanthinin 83.67
C00003169 Petasin 83.67
C00003392 Viscidulin B 83.67
C00011755 Herbolide D 83.67
C00011757 (+)-Heliangolidin
Heliangolidin		 83.67
C00011811 13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide 83.67
C00011875 (+)-Paramicholide
Paramicholide		 83.67
C00012083 (-)-Blumealactone C
Blumealactone C		 83.67
C00012390 Calbertolide A 83.67
C00012391 Calbertolide B 83.67
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		 83.67
C00012872 Pulchellin B
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-7-(Acetyloxy)decahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 83.67
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		 83.67
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		 83.67
C00013002 Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 83.67
C00013074 8alpha-Acetoxytaurin
(3S,3aS,5aR,8R,9bS)-8-(Acetyloxy)-3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 83.67
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 83.67
C00017012 Neo-S-petasin 83.67
C00020336 Xanthanol
Xanthumanol
2-Acetylivalbin		 83.67
C00020337 Isoxanthanol
4-Acetylivalbin		 83.67
C00020625 2beta-Acetoxy-3alpha,4alpha-epoxy-3,4-dihydrokauniolide 83.67
C00020887 Neogaillardin
Pleniradin acetate		 83.67
C00020931 6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide 83.67
C00021091 Hysterin 83.67
C00021175 Picrohelenin 83.67
C00021279 Zaluzanin B 83.67
C00022023 Naematolin C 83.67
C00022024 Naematolin G 83.67
C00022139 Albocycline M-1 83.67
C00022246 Cordobic acid 83.67
C00022248 7-Epicordobic acid 83.67
C00022742 ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid 83.67
C00023445 Friedolabdaturbinic acid 83.67
C00026187 Cropodine
1beta,2-Dihydromonocrotaline		 83.67
C00033606 9alpha-Acetoxycumambrin B 83.67
C00036606 6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
(-)-6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside		 83.67
C00040198 Salograviolide A 83.67
C00050185 Petasinol
(+)-Petasinol		 83.67
C00050186 Petasone A
(+)-Petasone A		 83.67
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