Molecule ID: 52951634

IUPAC Name: 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 a methoxy group at position 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(cc3c2=O)C=CC(C)(C)O4)ccc1OCC=C(C)C

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

InChI: InChI=1S/C26H26O5/c1-16(2)9-11-29-21-7-6-17(13-24(21)28-5)20-15-30-23-14-22-18(12-19(23)25(20)27)8-10-26(3,4)31-22/h6-10,12-15H,11H2,1-5H3

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 5.5