Molecule ID: 34059

IUPAC Name: 8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-4,7-dimethoxy-5-methylchromen-2-one

Description: The molecule is a member of the class of 8,8'-bicoumarins resulting from the formal oxidative dimerisation of 4,7-dimethoxy-5-methyl-2H-chromen-2-one (the S-(+) enantiomer). A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971. It has a role as a metabolite. It derives from an orlandin.

SMILES: COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(OC)cc(C)c2c(OC)cc(=O)oc12

SELFIES: [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][S][=Ring1][=Branch2]

InChI: InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 3.6