Molecule ID: 53354908

IUPAC Name: (2R,3R)-3,7-dihydroxy-5,6-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3 and 7 and methoxy groups at positions 5 and 6. It has been isolated from Pisonia aculeata. It has a role as a metabolite and a plant metabolite. It is a member of dihydroflavonols, a dihydroxyflavanone, a dimethoxyflavanone and a secondary alpha-hydroxy ketone. It derives from a (2S)-flavanone.

SMILES: COc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@@H](c1ccccc1)O2

SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]

InChI: InChI=1S/C17H16O6/c1-21-16-10(18)8-11-12(17(16)22-2)13(19)14(20)15(23-11)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 1.9