Molecule ID: 10334284

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

Description: The molecule is an organic tricyclic compound that is 1H-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at position 6. It is a collagenase inhibitor produced by Aspergillus niger. It has a role as an EC 3.4.24.3 (microbial collagenase) inhibitor and an Aspergillus metabolite. It is an organic tricyclic compound, an enone and a member of phenols. It derives from a hydride of a phenalene.

SMILES: COc1c(O)c2c3c(c(O)cc(O)c3c1O)C(C)=CC2=O

SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][P][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][=N][O][C][Branch1][C][C][=C][C][Ring1][#C][=O]

InChI: InChI=1S/C15H12O6/c1-5-3-6(16)10-12-9(5)7(17)4-8(18)11(12)14(20)15(21-2)13(10)19/h3-4,17-20H,1-2H3

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.8