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


and

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




INPUT WORD = C00012299 , 50% or more
[ Metabolite Name : Arcotiopicrin , Orientin (sesquiterpene) ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003208 Alatolide 98.04
C00012266 Pectorolide 98.04
C00003246 Deoxyelephantopin 96.15
C00012267 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 94.34
C00011866 Tagitinin E 94.23
C00011850 9-Hydroxyglabratolide 94.12
C00011856 Tagitinin C 94.12
C00011982 [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 94.12
C00012214 Glabratolide 94.12
C00012339 Gochnatolide 94.12
C00034536 Hierapolitanin A
(+)-Hierapolitanin A		 94.12
C00011859 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 92.45
C00011860 (3aR,4R,6E,10Z,11aR)-6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 92.45
C00012276 Linearilobin F 92.45
C00011865 Erioflorin 92.31
C00012115 Ciliarin 92.31
C00003215 Arctiopicrin 92.16
C00003341 Onopordopicrin 92.16
C00011816 8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide 92.16
C00011820 Arbutifolin 92.16
C00011848 1(10)E-Millerenolide 92.16
C00011849 9E-Millerenolide 92.16
C00011857 Vernopectolide B 92.16
C00011981 Zinarosin 92.16
C00013210 (-)-Eriolanin
Eriolanin
[3aalpha,4alpha,5(S*),7aalpha]-(-)- 2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-(4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid		 92.16
C00003390 Vernomygdin 90.91
C00012228 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 90.91
C00012270 Jurineolide 90.91
C00000168 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide 90.74
C00012089 [3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]- 2,3,3a,4,5,6,7,11a-Octahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.74
C00012094 Budlein A isobutyrate
Viguiepinin		 90.74
C00012118 NSC 375092 90.74
C00012140 Tagitinin B 90.74
C00012143 2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.74
C00036422 17,18-Dehydroviguiepinin
(-)-17,18-Dehydroviguiepinin		 90.74
C00011846 Trichomoriolide 90.57
C00011851 Acanthospermolide 90.57
C00012213 Germanin A 90.57
C00012244 Jamaicolide C
(2Z)-(3aR,4R,7R,9S,10Z,11aR)-2,3,3a,4,5,6,7,8,9,11a-Decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.57
C00012245 Calbertolide C
(2E)-(3aR,4R,7R,9S,10Z,11aR)-2,3,3a,4,5,6,7,8,9,11a-Decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.57
C00012268 (+)-Jurinelloide
Jurinelloide		 90.57
C00012300 Resinosolide 90.57
C00012399 Zinangustolide 90.57
C00012404 Eremantholide C 90.57
C00020594 19-Deoxyjanerin
Desoxyrepin		 90.57
C00011882 1,2-Dehydrozexbrevin 90.38
C00012113 Zexbrevin 90.38
C00012419 Pycnolide 90.38
C00020735 Repdiolide 90.38
C00049404 Tomenphantin A 90.38
C00049405 Tomenphantin B 90.38
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