Molecule ID: 42608063

IUPAC Name: (2S)-5-methoxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one

Description: The molecule is an extended flavonoid that is 2,3-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one which is substituted by a p-methoxyphenyl group at the 2-pro-S position, a methoxy group at position 5, and two methyl groups at position 8. It has a role as a plant metabolite. It is an extended flavonoid, an aromatic ether, an organic heterotricyclic compound, an aromatic ketone, a polyketide and a member of flavanones.

SMILES: COc1ccc([C@@H]2CC(=O)c3c(OC)cc4c(c3O2)C=CC(C)(C)O4)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=Branch1][#Branch1][=C][Ring1][Branch2][O][Ring1][=N][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C22H22O5/c1-22(2)10-9-15-18(27-22)12-19(25-4)20-16(23)11-17(26-21(15)20)13-5-7-14(24-3)8-6-13/h5-10,12,17H,11H2,1-4H3/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 3.8