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


and

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




INPUT WORD = C00012306 , 50% or more
[ Metabolite Name : Calein A ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00049591 Neurolenin H 98.36
C00012307 Calein B 96.72
C00020859 Jamaicolide A 95.16
C00012305 Piptolepolide 95.08
C00012308 Calein C 95.08
C00012311 Neurolenin B 95.08
C00049590 Neurolenin G 95.08
C00033601 8-O-Angeloyl-9-acetylanthemolide B 93.75
C00035815 Calealactone A 93.65
C00011872 Cordifolia 55 93.55
C00046767 Hispidunolide B
(-)-Hispidunolide B		 93.55
C00003267 Eupacunolin 93.44
C00003308 Isomontanolide 93.44
C00011855 Acanthospermal B 93.44
C00012302 [3aR-[3aR*,4R*(Z),6S*,9R*,10E,11aR*]]-9-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
3alpha-Acetoxytrichomoriolide		 93.44
C00012303 Piptolepolide 93.44
C00012312 Caleurticolide acetate 93.44
C00020589 Berlandin 93.44
C00012241 [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methylbutenoic acid 92.06
C00012310 Juanislamin 92.06
C00012138 Rotundin 91.94
C00033603 8-O-Isobutyryl-9-O-acetylanthemolide B
(-)-8-O-Isobutyryl-9-O-acetylanthemolide B		 91.94
C00035816 Calealactone B 91.94
C00011771 (-)-Ursanthemolide
Ursanthemolide		 91.80
C00011986 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 91.80
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 91.80
C00012315 [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid 91.80
C00012952 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-8-(acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-6-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 91.80
C00020526 9beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 91.80
C00033604 8-O-Tigloyl-9alpha-acetoxycumambrin B 91.80
C00049580 Lobatin D
(-)-Lobatin D		 91.80
C00020439 Eupachifolin D 90.63
C00003273 Euparotin acetate 90.48
C00020501 Eupachifolin B 90.48
C00020566 3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 90.48
C00020567 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 90.48
C00040770 15-Acetoxyeremantholide B 90.48
C00000167 Eupalinin B 90.32
C00003315 Liatrin 90.32
C00011863 Eupalinin D 90.32
C00011864 Eupalinin A 90.32
C00042052 15-Acetoxyheliangin 90.32
C00045939 Ferupennin H
(+)-Ferupennin H		 90.32
C00045940 Ferupennin I
(+)-Ferupennin I		 90.32
C00000169 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide 90.16
C00003266 Eupacunin 90.16
C00011788 Hiyodorilactone D 90.16
C00012062 (+)-Zempoalin D
Zempoalin D		 90.16
C00012139 Vernopectolide A 90.16
C00012224 Eurecurvin 90.16
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 90.16
C00012233 Orientalide 90.16
C00012273 Linearilobin C 90.16
C00012309 Calein D 90.16
C00012951 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6-(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 90.16
C00013007 Inucrithmolide
[3R-[3alpha,3abeta,5alpha,5aalpha,6beta(Z),9aalpha,9bbeta]]-5-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 90.16
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 90.16
C00020874 Montanolide 90.16
C00038982 Dendronpholide P
(-)-Dendronpholide P		 90.16
C00043501 Eupachinilide J
(+)-Eupachinilide J		 90.16
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