Molecule ID: 6453244

IUPAC Name: (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus. It has a role as a plant metabolite. It is a dihydroxyflavanone and a (2S)-flavan-4-one. It derives from a pinocembrin.

SMILES: Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O

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

InChI: InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.1