Molecule ID: 38362126

IUPAC Name: 4-[(E,3S)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol

Description: The molecule is a diarylheptanoid that is hept-6-en-3-ol substituted by two 4-hydroxyphenyl groups at the terminal carbon atoms respectively (the S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis and has been shown to inhibit NO production. It has a role as a plant metabolite. It is a diarylheptanoid, a member of phenols and a secondary alcohol.

SMILES: Oc1ccc(/C=C/CC[C@H](O)CCc2ccc(O)cc2)cc1

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

InChI: InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,17,20-22H,2,4,7,10H2/b3-1+/t17-/m0/s1

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