Molecule ID: 25016411

IUPAC Name: 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one

Description: The molecule is a member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a geranyl group at C-3. It is isolated from the aerial parts of Boronia bipinnata and exhibits antimalarial activity. It has a role as a metabolite and an antimalarial. It is a member of dihydrochalcones and a polyphenol.

SMILES: CC(C)=CCC/C(C)=C/Cc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O

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

InChI: InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-10-19-13-18(8-11-21(19)27)9-12-22(28)25-23(29)14-20(26)15-24(25)30/h5,7-8,11,13-15,26-27,29-30H,4,6,9-10,12H2,1-3H3/b17-7+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 6.4