Molecule ID: 5879763

IUPAC Name: (E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Description: The molecule is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at position 4 and 2' and a (3-methylbut-2-en-1-yl)oxy group at position 4'. It has been isolated from Lonchocarpus neuroscapha. It has a role as a plant metabolite, an antibacterial agent and an anti-inflammatory agent. It is a member of chalcones, a polyphenol and an aromatic ether. It derives from a hydride of a trans-chalcone.

SMILES: CC(C)=CCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1

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

InChI: InChI=1S/C20H20O4/c1-14(2)11-12-24-17-8-9-18(20(23)13-17)19(22)10-5-15-3-6-16(21)7-4-15/h3-11,13,21,23H,12H2,1-2H3/b10-5+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.0