Molecule ID: 10452362

IUPAC Name: (Z)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one

Description: The molecule is a member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 7 and a dimethylpyrano ring substituted across positions 3' and 4'. Isolated from Pongamia pinnata, it has been found to induce quinone reductase. It has a role as a metabolite. It is a member of chalcones and an enol ether.

SMILES: CO/C(=C\C(=O)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2)c1ccccc1

SELFIES: [C][O][/C][=Branch2][Ring2][C][=C][\C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=Branch1][=Branch1][=C][Ring1][Branch2][O][C][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 4.3