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


and

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




INPUT WORD = C00020749 , 50% or more
[ Metabolite Name : [1R-(1alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020744 [1R-(1alpha,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 100.00
C00020745 [1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 93.33
C00020741 2-Acetylzafronic acid 91.49
C00020747 [1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 91.49
C00023295 3-Oxocativiniv acid 89.36
C00021018 3beta-Acetoxy-desoxo-achalensolide 88.89
C00022755 Cistadienic acid 88.89
C00023395 Methyl haplodesertoate 88.89
C00022450 3alpha-Hydroxy-7,13E-labdadien-15-oic acid 87.23
C00022462 3beta-Hydroxy-7,13E-labdadien-15-oic acid 87.23
C00022464 3-Oxo-7,13E-labdadien-15-oic acid 87.23
C00022465 3beta-Hydroxy-7,13Z-labdadien-15-oic acid 87.23
C00012961 Montathanolide
[3aS-(3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.96
C00013002 Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 86.96
C00013074 8alpha-Acetoxytaurin
(3S,3aS,5aR,8R,9bS)-8-(Acetyloxy)-3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 86.96
C00020515 Kandavanolide
8beta-Hydroxyzaluzanin D		 86.96
C00021096 Rudmollitrin 86.96
C00021260 Ovalimethoxy II 86.96
C00003343 Ovatifolin 86.67
C00012838 9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
[2S-(2alpha,4alpha,4aalpha)]-4-(acetyloxy)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 86.67
C00012922 Acetoxydiplophyllin
[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 86.67
C00013043 [3aS-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
2alpha-Acetoxysphaerantholide		 86.67
C00013048 [3aS-(3aalpha,5beta,5abeta,9balpha)]-5-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
9beta-Acetoxytournefortiolide		 86.67
C00020746 [1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 86.67
C00021025 3-Oxo-labd-7en-15-ol 86.67
C00021700 9beta-Propionyloxy costunolide 86.67
C00022473 7,14-Labdadiene-3alpha,13R-diol 86.67
C00022592 3beta,15-Dihydroxy-ent-labda-7,13E-diene 86.67
C00022640 2alpha-Acetoxyeupatolide 86.67
C00022675 14-Acetoxy-11alpha,13-dihydrodesoxyivangustin 86.67
C00022756 7,13-Eperuadien-15-oic acid 86.67
C00023338 Cativic acid
(13S)-7-Labden-15-oic acid		 86.67
C00023339 Delta7-Eperuic acid 86.67
C00023455 Abeoanticopalic acid 86.67
C00030486 Hiyodorilactone C 86.67
C00032545 Zaluzanin D 86.67
C00032600 14,15,-Bisnor-8(17)-labdene-16,19-dioic acid 86.67
C00041308 Acetyl neobritannilactone B 86.67
C00041688 Neobritannilactone A 86.67
C00049504 Oidiolactone F
(-)-Oidiolactone F		 86.67
C00022441 Batudioic acid 85.71
C00022442 7,13(16)-Labdadiene-15,19-dioic acid 85.71
C00023290 (13S)-7-Labdene-15,18-dioic acid 85.71
C00022627 4alpha-Hydroxy-18-norgrindelic acid 85.42
C00012849 Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid 85.11
C00012856 Gerin
[2R-(2alpha,3alpha,4aalpha,8abeta)]-3-(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid methyl ester		 85.11
C00021279 Zaluzanin B 85.11
C00022407 13S-Hydroxy-7,14-labdadien-19-oic acid 85.11
C00022468 6-Oxocativic acid 85.11
C00022515 ent-3beta-Hydroxy-8(17),13Z-labdadien-15-oic acid 85.11
Page Top