Molecule ID: 72388

IUPAC Name: 4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenol

Description: The molecule is a lignan that consists of buta-1,3-diene substituted by 4-hydroxybenzyl groups at positions 2 and 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme. It has a role as a metabolite and a HIV-1 reverse transcriptase inhibitor. It is a lignan and a member of phenols.

SMILES: C=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1

SELFIES: [C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 5.5