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


and

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




INPUT WORD = C00012307 , 50% or more
[ Metabolite Name : Calein B ]
Number of matched data : 67

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012306 Calein A 96.72
C00049591 Neurolenin H 96.72
C00012309 Calein D 95.08
C00035815 Calealactone A 93.65
C00012305 Piptolepolide 93.44
C00012311 Neurolenin B 93.44
C00012310 Juanislamin 92.06
C00020879 8-Acetylpumilin
8-O-Acetyl pumilin		 91.94
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		 91.80
C00012303 Piptolepolide 91.80
C00012400 Jamaicolide D 91.80
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 91.80
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 91.80
C00049590 Neurolenin G 91.80
C00012313 Caleurticolide angelate 90.77
C00033601 8-O-Angeloyl-9-acetylanthemolide B 90.63
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 90.48
C00011872 Cordifolia 55 90.32
C00012138 Rotundin 90.32
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 90.32
C00003267 Eupacunolin 90.16
C00003308 Isomontanolide 90.16
C00011771 (-)-Ursanthemolide
Ursanthemolide		 90.16
C00011855 Acanthospermal B 90.16
C00011973 Isolaserolide 90.16
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 90.16
C00011987 [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]-4-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid 90.16
C00012273 Linearilobin C 90.16
C00012308 Calein C 90.16
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 90.16
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 90.16
C00020526 9beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 90.16
C00020589 Berlandin 90.16
C00020868 [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 90.16
C00020874 Montanolide 90.16
C00022673 8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroxycostic acid methyl ester 90.16
C00003273 Euparotin acetate 88.89
C00020566 3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 88.89
C00020567 3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 88.89
C00020568 3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin 88.89
C00040770 15-Acetoxyeremantholide B 88.89
C00003315 Liatrin 88.71
C00011864 Eupalinin A 88.71
C00033603 8-O-Isobutyryl-9-O-acetylanthemolide B
(-)-8-O-Isobutyryl-9-O-acetylanthemolide B		 88.71
C00042052 15-Acetoxyheliangin 88.71
C00045939 Ferupennin H
(+)-Ferupennin H		 88.71
C00000169 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide 88.52
C00003266 Eupacunin 88.52
C00003299 Schkuhrin I
Eucannabinolid
Eucannabinolide
Hiyodorilactone A		 88.52
C00011788 Hiyodorilactone D 88.52
C00012062 (+)-Zempoalin D
Zempoalin D		 88.52
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 88.52
C00012139 Vernopectolide A 88.52
C00012224 Eurecurvin 88.52
C00012279 Linearilobin I 88.52
C00012312 Caleurticolide acetate 88.52
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		 88.52
C00020500 Eupachifolin C 88.52
C00020527 8beta-Hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin 88.52
C00020585 Athanadregeolide 88.52
C00033604 8-O-Tigloyl-9alpha-acetoxycumambrin B 88.52
C00036423 1alpha,4alpha,10alpha-Trihydroxy-9alpha-angeloyloxyguaia-2,11(13)-dien-12,6alpha-olide 88.52
C00038976 Dendronpholide J
(-)-Dendronpholide J		 88.52
C00040851 8,9-di-O-Acetylanthemolide B
(-)-8,9-di-O-Acetylanthemolide B		 88.52
C00041979 Zinagrandinolide B 88.52
C00043501 Eupachinilide J
(+)-Eupachinilide J		 88.52
C00049580 Lobatin D
(-)-Lobatin D		 88.52
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