Showing chemical card for 6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CFc000122482)
6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4,5,11-trihydroxy-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
MOL for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D MOL for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D SDF for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D-SDF for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
PDB for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D PDB for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
SMILES for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
INCHI for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Structure for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D Structure for CFc000122482 (6-({4,5-dihydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),4,10,13(17)-pentaen-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
