Molecule ID: 52943439

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

Description: The molecule is a monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and 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 monomethoxyflavanone and a monohydroxyflavanone. It derives from a (2S)-flavanone.

SMILES: COc1cc(O)c(C)c2c1C(=O)C[C@@H](c1ccccc1)O2

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

InChI: InChI=1S/C17H16O4/c1-10-12(18)8-15(20-2)16-13(19)9-14(21-17(10)16)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.9