Molecule ID: 21142052

IUPAC Name: (2S)-5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one

Description: The molecule is a monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus. It has a role as a plant metabolite. It is a monohydroxyflavanone and a monomethoxyflavanone. It derives from a (2S)-flavanone.

SMILES: COc1c(C)c(O)c2c(c1C)O[C@H](c1ccccc1)CC2=O

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

InChI: InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 3.8