Molecule ID: 42607530

IUPAC Name: (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

Description: The molecule is a member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively. It has a role as a plant metabolite. It is a member of chalcones, a member of phenols and an aromatic ether.

SMILES: COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1

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

InChI: InChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 5.8