Showing chemical card for 6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CFc000118023)
6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 1,14-dihydroxy-9-(3-hydroxyphenyl)-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-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 CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D MOL for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D SDF for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D-SDF for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
PDB for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D PDB for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
SMILES for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
INCHI for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Structure for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
3D Structure for CFc000118023 (6-(3-{1,14-dihydroxy-27,28-dioxo-22-phenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaen-9-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid)
Belongs to the class of organic compounds known as naphthopyranone glycosides. Naphthopyranone glycosides are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety.
