Molecule ID: 135403797

IUPAC Name: 2,3,4,6-tetrahydroxybenzo[7]annulen-5-one

Description: The molecule is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene.

SMILES: O=c1c(O)cccc2cc(O)c(O)c(O)c12

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

InChI: InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.1