Molecule ID: 5360741

IUPAC Name: 3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one

Description: The molecule is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum. It has a role as an antifungal agent and a fungal metabolite. It is a benzochromenone and an aromatic ether. It derives from an alternariol.

SMILES: COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1

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

InChI: InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.2