Molecule ID: 53359575

IUPAC Name: (2R,3R)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one

Description: The molecule is a lignan that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, a methoxy group at position 6 and methyl groups at positions 2 and 3 (the 2R,3R-stereoisomer). It has been isolated from the barks of Machilus robusta. It has a role as a plant metabolite. It is a member of tetralins, a lignan, a member of phenols and a monomethoxybenzene.

SMILES: COc1cc2c(cc1O)C(=O)[C@H](C)[C@H](C)C2

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

InChI: InChI=1S/C13H16O3/c1-7-4-9-5-12(16-3)11(14)6-10(9)13(15)8(7)2/h5-8,14H,4H2,1-3H3/t7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.6