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name Structure Reference Source Properties Activities Metabolism

Xanthurenate

AlkaPlorer ID: AK021748

Synonym: None

IUPAC Name: 8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid

Structure

SMILES: O=C(O)C1=CC(O)=C2C=CC=C(O)C2=N1

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InChI: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)

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InChIKey: FBZONXHGGPHHIY-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Apis cerana Apis Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 205.169

TPSA？: 90.65

MolLogP？: 1.3441999999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 9976.3 nM None
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens LDL-associated phospholipase A2 IC50 100000.0 nM 10.1016/j.bmcl.2011.12.045
Homo sapiens Lysine-specific demethylase 4A Potency 28183.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 17782.8 nM None
Homo sapiens Sepiapterin reductase Inhibition nan % 10.1021/acs.jmedchem.9b00218
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 115.8 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 99.4 % 10.1124/mol.112.084152
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 12589.3 nM None
Rattus norvegicus Rattus norvegicus Activity_index 9.1 None 10.1021/jm00207a017
Rattus norvegicus Rattus norvegicus ED50 114.0 umol.kg-1 10.1021/jm00207a017
Rattus norvegicus Renal sodium-dependent phosphate transport protein 1 Activity 4.0 % 10.1016/s0960-894x(99)00444-8
Rattus norvegicus Vesicular glutamate transporter 3 Ki 190000.0 nM 10.1021/jm010261z
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002156 CC(=O)C(=O)O.Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O>>O=C(O)c1cc(O)c2cccc(O)c2n1 65908
AKRT014725 C[SAH].O=C(O)c1cc(O)c2cccc(O)c2n1>>COc1cccc2c(O)cc(C(=O)O)nc12 R03955
AKRT020522 Nc1c(O)cccc1C(=O)CC(=O)C(=O)O>>O=C(O)c1cc(O)c2cccc(O)c2n1 RXN-10722
AKRT020529 Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>O=C(O)c1cc(O)c2cccc(O)c2n1 RXN-21859
AKRT020538 Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O>>O=C(O)c1cc(O)c2cccc(O)c2n1 RXN-21999