Showing chemical card for 3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid (CFc000122479)
3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of (3r,8s)-17-hydroxy-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-19-one. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an alkyl-OH-glucuronidation reaction. This alkyl-OH-glucuronidation occurs in humans.
MOL for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
3D MOL for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
3D SDF for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
3D-SDF for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
PDB for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
3D PDB for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
SMILES for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
INCHI for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
Structure for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
3D Structure for CFc000122479 (3,4,5-trihydroxy-6-({12-methoxy-19-oxo-5,7,9,20-tetraoxahexacyclo[11.7.0.0²,¹⁰.0³,⁸.0⁴,⁶.0¹⁴,¹⁸]icosa-1(13),2(10),11,14(18)-tetraen-17-yl}oxy)oxane-2-carboxylic acid)
Belongs to the class of organic compounds known as difurocoumarins. These are polycyclic aromatic compounds containing difurocoumarin moiety consisting of a system of two fused furan rings, which is linked to the benzene ring of a coumarin.
