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


and

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




INPUT WORD = C00011843 , 50% or more
[ Metabolite Name : (+)-Caleine E , Calein E ]
Number of matched data : 68

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00049579 Desacetyl-neurolenin G
(-)-Desacetyl-neurolenin G		 96.23
C00020858 Subcordatolide A 96.15
C00011844 Calein F
Caleine F		 94.34
C00011845 Neurolenin A 94.34
C00011887 Tagitinin D
Tirotundin		 94.23
C00012113 Zexbrevin 94.23
C00012117 15-Deoxygayazensolide 94.23
C00030468 Hemistepsin 94.23
C00011857 Vernopectolide B 94.12
C00033595 8alpha-Isobutyryloxydouglanin 94.12
C00034536 Hierapolitanin A
(+)-Hierapolitanin A		 94.12
C00012114 Ladibranolide 92.59
C00012154 Tagitinin A 92.59
C00003257 Eremantholide A 92.45
C00012300 Resinosolide 92.45
C00012404 Eremantholide C 92.45
C00003243 Cynaropicrin 92.31
C00003366 Saupirin
sauparine		 92.31
C00011865 Erioflorin 92.31
C00012115 Ciliarin 92.31
C00020735 Repdiolide 92.31
C00003208 Alatolide 92.16
C00011856 Tagitinin C 92.16
C00011981 Zinarosin 92.16
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		 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
C00020511 Aguerin A 92.16
C00020512 Aguerin B 92.16
C00003293 Goyazensolide 90.91
C00041071 Neurolenin D 90.91
C00003342 Orizabin 90.74
C00003398 Zexbrevin B 90.74
C00012086 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-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
C00012116 (-)-Lychnopholide
Lychnopholide		 90.74
C00012976 (+)-Tirotundifolin C
Tirotundifolin C
(3aR,4R,5aR,6R,9aS,9bR)-[partial]- 2,3,3a,4,5,5a,6,7,9a,9b-Decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 90.74
C00036422 17,18-Dehydroviguiepinin
(-)-17,18-Dehydroviguiepinin		 90.74
C00011779 [3aR-[3aR*,4R*(S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-hydroxy-2-methylene-butanoic acid 90.57
C00020594 19-Deoxyjanerin
Desoxyrepin		 90.57
C00003360 Radiatin 90.38
C00003370 Tagitinin F 90.38
C00011866 Tagitinin E 90.38
C00012979 Chapinolin
[3aR-[3aalpha,4alpha(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.38
C00012983 Arturin
[3aR-[3aalpha,4beta(Z),5abeta,6beta,9aalpha,9bbeta]]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 90.38
C00013097 Vahlenin
(Dodecahydro-6,9-dihydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-yl)methyl ester 2-methyl-2-propenoic acid		 90.38
C00033593 8alpha-Angeloyloxydouglanin 90.38
C00033596 8alpha-Tigloyloxydouglanin 90.38
C00049404 Tomenphantin A 90.38
C00049405 Tomenphantin B 90.38
C00003215 Arctiopicrin 90.20
C00003333 Molephantin 90.20
C00003341 Onopordopicrin 90.20
C00011780 Mollisorin A 90.20
C00011816 8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide 90.20
C00011848 1(10)E-Millerenolide 90.20
C00011977 Isoarbutifolin 90.20
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 90.20
C00011983 [3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid 90.20
C00012056 Zinaflavin G 90.20
C00012299 Arcotiopicrin
Orientin (sesquiterpene)		 90.20
C00020705 Ezomontanin 90.20
C00020706 11,13-Dihydroezomontanin 90.20
C00020857 1alpha,4alpha-Dihydroxybishopsolicepolide 90.20
C00020918 1alpha-Peroxy-4alpha-hydroxybishopsolicepolide 90.20
C00020919 1alpha-Hydroxy-4alpha-peroxybishopsolicepolide 90.20
C00020920 Neoezoguaianin 90.20
C00022658 4alpha-Hydroperioxi-10alpha-hydroxy-8alpha-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide 90.20
C00029909 Carlaolide A
(-)-Carlaolide A		 90.20
C00049965 8beta-Isobutyryloxycumambranolide
(-)-8beta-Isobutyryloxycumambranolide		 90.20
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