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


and

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




INPUT WORD = C00012907 , 50% or more
[ Metabolite Name : [4S-[4alpha,4abeta,5beta,6beta(2R*,3S*),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-4,5-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012904 [4aR-[4aalpha,5alpha,6alpha(2S*,3R*),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid 94.55
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 89.47
C00012905 [4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester3-methylbutanoic acid 89.09
C00012984 (+)-Tirotundifolin A
Tirotundifolin A		 89.09
C00012986 Trichomatolide D
(3aR,4R,5aR,6R,9aS,9bR)-[partial]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 89.09
C00012860 Odonticin
1,2,3,4,4a,5,6,8a-Octahydro-7-(1-hydroperoxy-1-methylethyl)-1-hydroxy-1,4a-dimethyl-6-oxo-2-naphthalenyl ester 2,3-dihydroxy-2-methyl-butanoic acid		 87.72
C00011842 Vicolide D 87.50
C00017351 6beta-Acetoxyfuranoeremophilan-3alpha-yl angelate 87.50
C00012906 [4aR-[4aalpha,5alpha,6alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 87.27
C00013089 Eudesmaafraglaucolide
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-3-[(acetyloxy)methyl]-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one		 87.27
C00017379 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 87.27
C00022555 6beta-Hydroxyisochiliolide 87.27
C00048160 Sucutinirane E 87.27
C00048643 Cespihypotin O
(+)-Cespihypotin O		 87.27
C00020444 Solstitiolide 85.96
C00036883 Cascarillin D
(-)-Cascarillin D		 85.96
C00011888 [3aS-(3aR*,4S*,6R*,9S*,10R*,11aS*)]-9-Ethoxydodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-propanoic acid 85.71
C00012155 Viguilenin 85.71
C00012985 (+)-Tirotundifolin E
Tirotundifolin E
Dodecahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2,3-dihydroxy-2-methylbutanoic acid		 85.71
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 85.71
C00037496 Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
(+)-Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate		 85.71
C00003232 (+)-Cnicin
Cnicin		 85.45
C00003342 Orizabin 85.45
C00011779 [3aR-[3aR*,4R*(S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 3-hydroxy-2-methylene-butanoic acid 85.45
C00011806 9-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 85.45
C00011846 Trichomoriolide 85.45
C00012116 (-)-Lychnopholide
Lychnopholide		 85.45
C00012118 NSC 375092 85.45
C00012341 Ineupatorolide A 85.45
C00012956 Tanapsin
[3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 85.45
C00017322 [1aR-[1aalpha,4beta,4abeta,5beta(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 4-hydroxy-2-methyl-2-butenoic acid 85.45
C00017377 ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 85.45
C00017388 1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 85.45
C00017428 17,18-Epoxy-17,18-dihydroneoadenostylon 85.45
C00017734 Antibiotic MF 730N6
MF 730N6
Terpentecin
UCT 4A		 85.45
C00020482 Breviarolide 85.45
C00020505 Epicentaurepensin
Linichlorin B		 85.45
C00021170 Pulchelloid C 85.45
C00022217 Leonotinin 85.45
C00022392 Leonotin 85.45
C00022545 6beta-Hydroxypyrrhopappolide 85.45
C00022624 6alpha-Formyloxygrindelic acid 85.45
C00023535 Teuchamaedrin C 85.45
C00031373 Shinjulactone H 85.45
C00038325 7R-Hydroxy-14-deoxyandrographolide 85.45
C00038326 7S-Hydroxy-14-deoxyandrographolide 85.45
C00039951 Perforaquassin A 85.45
C00041603 isoandrographolide 85.45
C00048642 Cespihypotin N
(-)-Cespihypotin N		 85.45
C00048647 Cespihypotin S
(-)-Cespihypotin S		 85.45
Page Top