Molecule ID: 56669874

IUPAC Name: (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

Description: The molecule is a methoxyaurone that is aurone substituted by methoxy groups at positions 4, 6 and 4' and a hydroxy group at position 3' respectively. It has been isolated from the roots of Cyperus teneriffae. It has a role as a plant metabolite. It is a methoxyaurone and a hydroxyaurone. It derives from an aurone.

SMILES: COc1cc(OC)c2c(c1)O/C(=C\c1ccc(OC)c(O)c1)C2=O

SELFIES: [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][Ring1][S][=O]

InChI: InChI=1S/C18H16O6/c1-21-11-8-14(23-3)17-15(9-11)24-16(18(17)20)7-10-4-5-13(22-2)12(19)6-10/h4-9,19H,1-3H3/b16-7-

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 3.2