Molecule ID: 5326637

IUPAC Name: 1,8-dihydroxy-4-nitroxanthen-9-one

Description: The molecule is a member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups. It has a role as a protein kinase inhibitor. It is a member of xanthones, a polyphenol and a C-nitro compound.

SMILES: O=c1c2c(O)cccc2oc2c([N+](=O)[O-])ccc(O)c12

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

InChI: InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 2.6