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


and

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




INPUT WORD = C00020868 , 50% or more
[ Metabolite Name : [3aS-[3aalpha,4alpha,5beta(Z),9beta,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020867 [3aS-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 98.33
C00020865 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 95.00
C00020557 4-Acetoxypruteninone 91.67
C00020862 [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 91.67
C00020864 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 91.67
C00020879 8-Acetylpumilin
8-O-Acetyl pumilin		 90.32
C00012307 Calein B 90.16
C00012279 Linearilobin I 90.00
C00020527 8beta-Hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 90.00
C00020863 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one 90.00
C00020866 Heliopsolide
[3aR-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-2,3,3a,4,5,9,9a,9b-Octahydro-4,9-dihydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid		 90.00
C00020564 Skutchiolide B 88.89
C00020697 Zoapatanolide D 88.89
C00012227 5-(Acetyloxy)-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 88.52
C00020589 Berlandin 88.52
C00011807 8-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 88.33
C00011876 Marginatin 88.33
C00012272 Linearilobin B 88.33
C00012400 Jamaicolide D 88.33
C00020555 Laferin 88.33
C00020560 Ferolide 88.33
C00020696 Bacchariolide A 88.33
C00020861 [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one 88.33
C00023177 Eupalinilide A 88.33
C00030229 Eupasimplicin A 88.33
C00033604 8-O-Tigloyl-9alpha-acetoxycumambrin B 88.33
C00020556 Talassin B 87.50
C00020568 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 87.30
C00020572 8beta-(5-Acetoxy-tiglinoyloxy)-2-oxo-ludartin 87.30
C00030485 Hispidunolide A 87.30
C00020553 Oferin 87.10
C00020859 Jamaicolide A 87.10
C00045939 Ferupennin H
(+)-Ferupennin H		 87.10
C00045940 Ferupennin I
(+)-Ferupennin I		 87.10
C00045943 Ferupennin L
(+)-Ferupennin L		 87.10
C00012306 Calein A 86.89
C00049591 Neurolenin H 86.89
C00000169 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide 86.67
C00003231 Chromolaenide 86.67
C00003274 Eupaserrin 86.67
C00003308 Isomontanolide 86.67
C00003313 Laserolide 86.67
C00011861 (3aR,4R,6E,10E,11aR)-10-[(Acetyloxy)methyl]-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 86.67
C00011973 Isolaserolide 86.67
C00012087 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 86.67
C00012192 [3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid 86.67
C00012309 Calein D 86.67
C00020526 9beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 86.67
C00020590 Bacchariolide B 86.67
C00020874 Montanolide 86.67
C00020878 Pumilin 86.67
C00043500 Eupachinilide I
(+)-Eupachinilide I		 86.67
C00045942 Ferupennin K
(-)-Ferupennin K		 86.67
Page Top