Molecule ID: 5318880

IUPAC Name: (E)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)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 positions 2, 4, 2' and 4', a methoxy group at position 6' and a 5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 3 respectively. It has a role as a plant metabolite. It is a member of chalcones, a member of resorcinols and a monomethoxybenzene. It derives from a trans-chalcone.

SMILES: C=C(C)C(CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O

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

InChI: InChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: 5.2