Molecule ID: 51538465

IUPAC Name: (9R)-4,6-dihydroxy-5-methoxy-1,8,8,9-tetramethyl-3-oxo-9H-phenaleno[1,2-b]furan-7-olate

Description: The molecule is a phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3. It has a role as an antibacterial agent and a fungal metabolite. It is a conjugate base of a deoxyherqueinone.

SMILES: COc1c(O)c2c3c(c4c(c([O-])c3c1O)C(C)(C)[C@@H](C)O4)C(C)=CC2=O

SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch2][Ring1][=C][=C][C][=Branch1][N][=C][Branch1][C][O-1][C][Ring1][#Branch1][=C][Ring1][N][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][O][Ring1][=N][C][Branch1][C][C][=C][C][Ring2][Ring1][Ring2][=O]

InChI: InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)18-14(20(3,4)8(2)26-18)15(22)13(12)17(24)19(25-5)16(11)23/h6,8,22-24H,1-5H3/p-1/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 5.1