Molecule ID: 10335676

IUPAC Name: (2S)-5,7-dimethoxy-4-oxo-2-phenyl-2,3-dihydrochromene-8-carbaldehyde

Description: The molecule is a dimethoxyflavanone that is 5,7-dimethoxyflavanone substituted by a formyl group at position 8. Isolated from the stem bark of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species. It has a role as a metabolite and an antineoplastic agent. It is a dimethoxyflavanone and an aldehyde.

SMILES: COc1cc(OC)c2c(c1C=O)O[C@H](c1ccccc1)CC2=O

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

InChI: InChI=1S/C18H16O5/c1-21-15-9-16(22-2)17-13(20)8-14(11-6-4-3-5-7-11)23-18(17)12(15)10-19/h3-7,9-10,14H,8H2,1-2H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 2.3