Molecule ID: 52951515

IUPAC Name: 5-methoxy-7-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one

Description: The molecule is a methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a prenyloxy group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity. It has a role as a metabolite and a plant metabolite.

SMILES: COc1cc(-c2coc3cc4c(c(OC)c3c2=O)C=CC(C)(C)O4)ccc1OCC=C(C)C

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

InChI: InChI=1S/C27H28O6/c1-16(2)10-12-31-20-8-7-17(13-22(20)29-5)19-15-32-23-14-21-18(9-11-27(3,4)33-21)26(30-6)24(23)25(19)28/h7-11,13-15H,12H2,1-6H3

Molecular Properties:
- Polar Surface Area: 63.2 Ų
- LogP: 5.5