Molecule ID: 54672086

IUPAC Name: 4-hydroxy-3,10,11-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one

Description: The molecule is a hydroxyhomoflavonoid that is isochromeno[4,3-b]chromen-7(5H)-one substituted by a hydroxy group at position 4 and methoxy groups at positions 3, 10 and 11. It has been isolated from Mimosa diplotricha. It has a role as a plant metabolite. It is a hydroxy homoflavonoid, an aromatic ether and an organic heterotetracyclic compound.

SMILES: COc1ccc2c(c1O)COc1c-2oc2c(OC)c(OC)ccc2c1=O

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

InChI: InChI=1S/C19H16O7/c1-22-12-6-4-9-11(14(12)20)8-25-19-15(21)10-5-7-13(23-2)18(24-3)17(10)26-16(9)19/h4-7,20H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 2.5