Molecule ID: 86289111

IUPAC Name: (2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of cuevaene A, obtained by deprotonation of the carboxy group.

SMILES: COC(=C\C(C)=C\C1CCCc2oc3ccc([O-])cc3c21)/C=C/C(=O)O

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

InChI: InChI=1S/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/p-1/b9-7+,13-10+,16-11-

Molecular Properties:
- Polar Surface Area: 82.7 Ų
- LogP: 5.3