Molecule ID: 25245780

IUPAC Name: (2Z)-4-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]-5-oxofuran-3-olate

Description: The molecule is conjugate base of aspulvinone H arising from selective deprotonation of the butenolide OH group; major species at pH 7.3. It is a conjugate base of an aspulvinone H.

SMILES: CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2O)ccc1[O-]

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch2][Ring2][Branch1][/C][=C][\O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][C][O][=C][C][=C][Ring2][Ring1][#Branch2][O-1]

InChI: InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/p-1/b24-14-

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 7.1