Molecule

Quinoline-2-carboxylate, calcium 3-hydroxy

AlkaPlorer ID: AK020185

Synonym: '3-Hydroxyquinoline-2-carboxylic acid'

IUPAC Name: 3-hydroxyquinoline-2-carboxylic acid

SMILES: O=C(O)C1=NC2=CC=CC=C2C=C1O

InChI: InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)

InChIKey: WHKZBVQIMVUGIH-UHFFFAOYSA-N

PubChem CID: 194859

CAS: 110429-27-1

LOTUS: LTS0007420

SuperNatural Ⅲ: SN0410393

COCONUT: CNP0153194

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces griseoflavus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 189.17

TPSA？: 70.42

MolLogP？: 1.6385999999999998

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT022007	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1nc2ccccc2cc1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2nc3ccccc3cc2O)[C@@H](O)[C@H]1O	RXN-17170
AKRT023399	O=C(O)c1nc2ccccc2c(O)c1O>>O=C(O)c1nc2ccccc2cc1O	RXN-17143