Molecule ID: 49831860

IUPAC Name: 4-[(E,3R)-3-hydroxy-7-phenylhept-6-enyl]benzene-1,2-diol

Description: The molecule is a diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3R- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a secondary alcohol and a member of catechols.

SMILES: Oc1ccc(CC[C@H](O)CC/C=C/c2ccccc2)cc1O

SELFIES: [O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C@H1][Branch1][C][O][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C19H22O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-4,6-8,11,13-14,17,20-22H,5,9-10,12H2/b8-4+/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 4.2