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


and

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




INPUT WORD = C00017344 , 50% or more
[ Metabolite Name : [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017345 [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid 96.77
C00017341 [4aS-[4aalpha,5alpha,6alpha(Z),7alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid 95.16
C00017355 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 95.16
C00017363 (-)-Kablicin
Kablicin
Kablicine		 93.75
C00017353 (S)-Furanopetasitin 93.55
C00017356 [4aS-[4aalpha,5alpha(Z),6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-acetic acid 1-methyl-1-propenyl ester 93.55
C00017342 [4aS-[4aalpha,5alpha,6beta,7alpha(Z),8abeta]]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid 90.32
C00017315 [4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4,6-diyl ester 2-methyl-2-propenoic acid 88.71
C00017343 [4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid 88.71
C00022582 6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid 88.71
C00023411 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid 88.71
C00017307 [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 87.88
C00017444 (4alpha,4aalpha,5alpha,7alpha,8beta,8abeta)-(-)-7-Hydroxy-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-4-(2-methyl-1-oxopropoxy)-9-oxonaphtho[2,3-b]furan-8-yl ester 3-methyl-2-butenoic acid 87.50
C00021357 Homofukinolide 87.50
C00031436 Vibsanin B 87.10
C00042345 Caseargrewiin D
(-)-Caseargrewiin D		 87.10
C00036415 14-Deoxy-epsilon-caesalpin
(+)-14-Deoxy-epsilon-caesalpin		 85.71
C00041456 Crassocolide B
(+)-Crassocolide B		 85.71
C00017340 [4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 85.48
C00017351 6beta-Acetoxyfuranoeremophilan-3alpha-yl angelate 85.48
C00017378 [1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 85.48
C00022446 Dendroidinic acid 85.48
C00022647 Gutierrezianolic acid 2-methylbutyrate 85.48
C00029872 Caesalpinin H
(+)-Bonducellpin D		 85.48
C00029873 Caesalpinin I 85.48
C00043356 Caseamembrin F
(+)-Caseamembrin F		 85.48
C00049153 Eremopetasitenin C2
(-)-Eremopetasitenin C2		 85.29
C00029419 1-Deacetoxy-1-oxocaesalmin C 84.62
C00020846 Skutchiolide A 84.13
C00022734 (ent-2alpha,3beta,13Z)-3-Angeloyloxy-8(17),13-labdadiene-2,15,16,18-tetrol 84.13
C00029880 Caesalpinin P 84.13
C00042788 Norcaesalpinin A
(-)-Norcaesalpinin A		 84.13
C00017352 [4S-[4alpha,4aalpha,5alpha,6alpha(Z),8aalpha]]-4-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 83.87
C00017380 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 5-(Acetyloxy)-1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 83.87
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 83.87
C00022390 7-Acetoxymarrubin 83.87
C00022649 Gutierrezianolic acid propionate methyl ester 83.87
C00022778 17-Succinoyloxy-ent-cleroda-3,13(16),14-trien-15,16-oxide 83.87
C00023200 3alpha-Angeloyloxy-ent-labda-7,13E-dien-2beta,15-diol 83.87
C00023412 3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13dien-15,16-olide 83.87
C00023491 Isolinaritriol 12,15-diacetate 83.87
C00034619 Pancherin A 83.87
C00040612 Valdivone A 83.87
C00043213 5-epi-Vibsanin G
(+)-5-epi-Vibsanin G		 83.87
C00043997 Vibsanin G
(+)-Vibsanin G		 83.87
C00050361 Furospongin 4 83.87
C00049156 Eremopetasitenin D2
(+)-Eremopetasitenin D2		 83.82
C00027778 8-Acetylheterophyllisine
8-O-Acetylheterophyllisine		 83.08
C00038620 Bonducellpin G
(+)-Bonducellpin G		 83.08
C00039137 epsilon-Caesalpin
(+)-epsilon-Caesalpin		 83.08
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