Molecule ID: 53354912

IUPAC Name: 2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-enyl]-5-methoxybenzene-1,4-diol

Description: The molecule is a member of the class of hydroquinones that is benzene-1,4-diol substituted by a methoxy group at position 5 and a prop-en-1-yl group at position 2 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl group at position 1. It has been isolated from Pterocarpus santalinus. It has a role as a metabolite and a plant metabolite. It is an aromatic ether and a member of hydroquinones.

SMILES: C=C[C@@H](c1ccc(OC)c(O)c1)c1cc(O)c(OC)cc1O

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

InChI: InChI=1S/C17H18O5/c1-4-11(10-5-6-16(21-2)14(19)7-10)12-8-15(20)17(22-3)9-13(12)18/h4-9,11,18-20H,1H2,2-3H3/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 3.3