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


and

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




INPUT WORD = C00017369 , 50% or more
[ Metabolite Name : Ligularol acetate ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017350 6-Acetylfuranofukinol 95.45
C00017412 Dihydrodecompositine 95.45
C00017391 [1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-ol acetate 93.33
C00017302 Ligolide 92.86
C00021936 5-Acetoxynakafuran 8 92.86
C00017371 6beta-Methoxyfuranoeremophilane
Furanofukinin
Petasalbin methyl ether		 90.48
C00017405 [4aR-(4aalpha,5alpha,8abeta,9abeta)]-9a-Ethoxy-4a,5,6,7,8,8a,9,9a-octahydro-3,4a,5-trimethyl-naphtho[2,3-b]furan-2(4H)-one 90.48
C00021531 Furoscrobiculin C 90.48
C00013570 Chloranthalactone C
(4aS,5R,5aS,6aR,6bS)-5-[(Acetyloxy)methyl]-4a,5,5a,6,6a,6b-hexahydro-3,6b-dimethylcycloprop[2,3]indeno[5,6-b]furan-2(4H)-one		 88.89
C00017423 Decompostin 88.64
C00012908 [4aS-(4aalpha,8beta,8abeta)]-4,4a,7,8,8a,9-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-8-ol acetate 88.10
C00017319 1beta,10beta-Epoxyfuranoeremophilan-6beta-ol 88.10
C00017357 Tetradymodiol 88.10
C00017361 [4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,5,6,7,8,9-Hexahydro-4-methoxy-3,4a,5-trimethyl-naphtho[2,3-b]furan-8a(4aH)-ol 88.10
C00017373 [2aR-(2aalpha,5aalpha,9balpha,9calpha)]-2a,3,4,5,5a,6,9b,9c-Octahydro-9,9c-dimethyl-2H-naphtho[1,8-bc:3,2-b']difuran-2-one 88.10
C00017426 6beta-(2-Methylacryloyloxy)-9-oxoeuryopsin 87.50
C00049094 6beta-Isobutyryloxysenberginone 87.50
C00017429 [1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-5-(Acetyloxy)-1a,2,3,4,4a,5-hexahydro-4,4a,6-trimethyl-9H-oxireno[8,8a]naphtho[2,3-b]furan-9-one 87.23
C00017366 [4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid 86.96
C00033119 Lindenanolide H 86.67
C00011659 Acetoxydelobanone 85.71
C00012042 3abeta,4,5,8bbeta-tetrahydro-3alpha,4alpha,8-trimethyl-4-vinylbenzo[1,2-b:3,4-b']difuran-2(3H)-one
Dihydroisolinderalactone		 85.71
C00012939 Nehipediol
[4aR-(4aalpha,5alpha,8alpha,8aalpha)]-5,6,7,8,8a,9-Hexahydro-4a,8-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-4(4aH)-one		 85.71
C00017006 Furanoeremophilan-14beta,6alpha-olide 85.71
C00017013 [1R-(1alpha,4aalpha,5alpha)]- 1-(Acetyloxy)-3,4,4a,5,6,7-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-2(1H)-naphthalenone 85.71
C00017320 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid 85.71
C00017335 Eremophil-7(11)-en-6alpha,15:8alpha,12-diolide 85.71
C00017349 Furanofukinol 85.71
C00017362 Euryopsol 85.71
C00017372 Ligularone 85.71
C00017434 6beta-Hydroxy-9,10-didehydrofuranoeremophilan-1-one 85.71
C00020780 5alpha,8beta-Dihydroxyeudesma-4(15),7(11)-diene-8,12-olide 85.71
C00021115 15-Acetoxybrasilic acid 85.71
C00021263 Plagiochiline H 85.71
C00033749 Cytosporone C 85.71
C00041646 Mairetolide E
(-)-Mairetolide E		 85.71
C00003148 10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane 85.42
C00017367 3beta-Angeloyloxyfuranoeremophilane 85.42
C00017370 Albopetasin
Albopetasine		 85.42
C00017424 Adenostylone 85.42
C00017435 6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one 85.42
C00017303 Palmosalide B 84.78
C00013053 1alpha-Acetoxy-11beta(H),13-dihydrodouglanin
[3S-(3alpha,3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-6-(Acetyloxy)-3a,4,5,5a,6,7,9a,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 84.09
C00017443 [4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one 84.09
C00020765 6beta-Acetoxyisodrimenin 84.09
C00021352 9-Acetoxyfukinanolide 84.09
C00032858 Coronarin E 84.09
C00046480 Tubipolide G
(+)-Tubipolide G		 84.09
C00017310 [4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 84.00
C00017358 [4S-[4alpha(Z),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 84.00
C00017425 [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 84.00
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