Molecule ID: 9860333

IUPAC Name: 4,6,7,8,9-pentahydroxy-3-methylphenalen-1-one

Description: The molecule is a carbotricyclic compound that is funalenone in which the methoxy group at position 2 has been demethylated to the corresponding hydroxy derivative. It is a carbotricyclic compound, a member of phenols and an enone. It is a conjugate acid of a 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1-). It derives from a hydride of a phenalene.

SMILES: CC1=CC(=O)c2c(O)c(O)c(O)c3c(O)cc(O)c1c23

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

InChI: InChI=1S/C14H10O6/c1-4-2-5(15)9-11-8(4)6(16)3-7(17)10(11)13(19)14(20)12(9)18/h2-3,16-20H,1H3

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 2.4