Molecule ID: 50993828

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

Description: The molecule is a member of the class of tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, two hydroxymethyl groups at positions 2 and 4 and a methoxy group at position 6. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a member of tetralins, a triol, an aromatic ether, a member of phenols, a primary alcohol and a cyclic ketone.

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

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

InChI: InChI=1S/C13H16O5/c1-18-12-3-7-2-8(5-14)10(6-15)13(17)9(7)4-11(12)16/h3-4,8,10,14-16H,2,5-6H2,1H3/t8-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 0.8