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


and

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




INPUT WORD = C00012912 , 50% or more
[ Metabolite Name : Pinnatifidin (Helenium) , [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenepinnatifidin , Naphtho[2,3-b]furan-2,7-dione ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012834 [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid 97.37
C00012923 [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
15-Hydroxyisoalloalantolactone		 97.37
C00012833 2-Hydroxyisocostic acid 94.74
C00012879 (+)-Isoalloalantolactone
Isoalloalantolactone
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 94.74
C00012880 Diplophyllolide A
[3aS-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 94.74
C00012927 Inunal
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde		 94.74
C00012941 [3aS-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
3-Oxodiplophyllin		 94.74
C00012944 Virginin
[3S-(3alpha,3abeta,4abeta,8aalpha,9abeta)]-3a,4a,5,8a,9,9a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 94.74
C00020948 [3R-(3alpha,3aalpha,7abeta,8alpha,9aalpha)]-3,3a,7a,8,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2,7-dione 94.74
C00020953 Virginolide 94.74
C00021102 2alpha-Hydroxy-eudesm-3,11(13)-dien-12,8beta-olide 94.74
C00020810 Dihydropicridin 92.50
C00013588 Lumiyomogin
(3aR,3bS,4aR,7aR,8aS)-3a,3b,4,4a,7a,8-Hexahydro-3a,3b-dimethyl-7-methylene-3H-cyclopenta[1,3]cyclopropa[1,2-f]benzofuran-3,6(7H)-dione		 92.31
C00021046 Lumisantonin 92.31
C00003310 Ivalin
[3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 92.11
C00003363 Santamarin
Santamarine
Balchanin		 92.11
C00003371 Tamaulipin A 92.11
C00012022 [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone 92.11
C00012095 11beta,13-Dihydroparthenolide
Dihydroparthenolide		 92.11
C00012698 [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone 92.11
C00012724 alpha-Costic acid
Eudesma-3,11(13)-dien-12-oic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 92.11
C00012831 [2R-(2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-a,8-bis(methylene)-5-oxo-2-naphthaleneacetic acid
1-Oxo-4(15),11(13)-eudesmadien-12-oic acid		 92.11
C00012895 2alpha-Hydroxy alantolactone 92.11
C00012896 2-Oxoalantolactone
[3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione		 92.11
C00012900 Isoalantodiene
[3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 92.11
C00012920 [3aS-(3aalpha,4aalpha,8abeta,9aalpha)]- 3a,4,4a,7,8,8a,9,9a-Octahydro-4a-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
ent-7alpha-Hydroxydipophyllolide		 92.11
C00012931 [3R-(3alpha,3aalpha,4aalpha,5beta,6alpha,8abeta,9aalpha)]-Decahydro-6-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(3H)-one
3-Hydroxy-12,8-eudesmanolide		 92.11
C00012942 (-)-Yomogin
[3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 92.11
C00013037 11beta,13-Dihydrosantamarin
11,13-Dihydrosantamarine
Dihydrosantamarin		 92.11
C00013042 2alpha-Hydroxysphaerantholide
[3aS-(3aalpha,5abeta,7alpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-7-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 92.11
C00013058 Herbolide G
[3S-(3alpha,3aalpha,5beta,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-5-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 92.11
C00013223 Douglanin
Douglanine
[3aS-(3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 92.11
C00020830 11,13-Dehydroleucodin
Dehydroleucodin
Lidbeckialactone		 92.11
C00020832 Isodehydroleucodin 92.11
C00020951 3-Oxo-4-guaien-12,8beta-olide 92.11
C00021022 5-Hydroxy-11beta,13-dihydroziniolide 92.11
C00021319 10,12-Dihydroxy-3-longipinen-5-one 92.11
C00021698 8-epi-Isovangustin 92.11
C00021713 1-Hydroxymirabolide 92.11
C00030174 Elongatol E
(-)-Elongatol E		 92.11
C00030611 Kikkanol C
(+)-Kikkanol C		 92.11
C00034364 11alpha,13-Dihydrosantamarin 92.11
C00038316 7alpha-Hydroxyisopterocarpolone 92.11
C00045553 3,4-Epoxy-11alpha,13-dihydroelemen-12,8-olide
(+)-3,4-Epoxy-11alpha,13-dihydroelemen-12,8-olide		 92.11
C00045554 3,4-Epoxy-5,10-epi-elemasteriractinolide 92.11
C00046478 Tubipolide D
(-)-Tubipolide D		 92.11
C00042486 Eminensin A 90.24
C00003283 Farinosin 90.00
C00011995 Epoxyzinamultifloride 90.00
C00012111 2alpha-Hydroxydihydroparthenolide 90.00
C00013207 Tubipolide E
[4aR-(4aalpha,9abeta,10abeta)]-4a,9a,10,10a-Tetrahydro-10a-hydroxy-3,5,9a-trimethylfuro[2,3-h][3]benzoxepin-2(4H)-one		 90.00
C00020811 Picridin 90.00
C00033576 6alpha-Hydroxyxerantholide 90.00
C00034258 Sivasinolide 90.00
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