Showing chemical card for {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}oxidanesulfonic acid (CFc000122481)
{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}oxidanesulfonic 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 Sulfotransferase family cytosolic 2B member 1 (O00204) and Sulfotransferase enzymes via a sulfation-of-secondary-alcohol reaction. This sulfation-of-secondary-alcohol occurs in humans.
MOL for CFc000122481 ({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}oxidanesulfonic acid)
3D MOL for CFc000122481 ({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}oxidanesulfonic acid)
3D SDF for CFc000122481 ({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}oxidanesulfonic acid)
3D-SDF for CFc000122481 ({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}oxidanesulfonic acid)
PDB for CFc000122481 ({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}oxidanesulfonic acid)
3D PDB for CFc000122481 ({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}oxidanesulfonic acid)
SMILES for CFc000122481 ({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}oxidanesulfonic acid)
INCHI for CFc000122481 ({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}oxidanesulfonic acid)
Structure for CFc000122481 ({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}oxidanesulfonic acid)
3D Structure for CFc000122481 ({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}oxidanesulfonic 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.
