Molecule ID: 54683265

IUPAC Name: 3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethylcyclohexyl]-1,4-dihydroxypyridin-2-one

Description: The molecule is a member of the class of dihydroxypyridines that is 1,4-dihydroxypyridin-2-one carrying an additional 6-ethenyl-2,4-dimethylcyclohexyl substituent at position 3. Pyridoxatin is a MMP-2 (Gelatinase A) inhibitor with antibiotic and anticancer properties. Also indicated to be a lipid peroxidation and DNA synthesis inhibitor as well as a free radical scavenger. It has a role as a fungal metabolite, an antimicrobial agent, an antineoplastic agent, a DNA synthesis inhibitor, a radical scavenger and an EC 3.4.24.24 (gelatinase A) inhibitor. It is a pyridone, a dihydroxypyridine and an olefinic compound.

SMILES: C=C[C@H]1C[C@@H](C)C[C@@H](C)[C@@H]1c1c(O)ccn(O)c1=O

SELFIES: [C][=C][C@H1][C][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][Branch2][C][=C][Branch1][C][O][C][=C][N][Branch1][C][O][C][Ring1][Branch2][=O]

InChI: InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: 2.7