Molecule ID: 21721856

IUPAC Name: (6R,7R)-7-hydroxy-9-methoxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one

Description: The molecule is an extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 3, a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a member of dihydroflavonols, a monomethoxyflavanone, an extended flavonoid and a secondary alpha-hydroxy ketone.

SMILES: COc1c2c(cc3c1C(=O)[C@H](O)[C@@H](c1ccccc1)O3)OCO2

SELFIES: [C][O][C][=C][C][=Branch2][Ring1][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=C][O][C][O][Ring2][Ring1][Ring2]

InChI: InChI=1S/C17H14O6/c1-20-17-12-10(7-11-16(17)22-8-21-11)23-15(14(19)13(12)18)9-5-3-2-4-6-9/h2-7,14-15,19H,8H2,1H3/t14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 2.1