2,8-Dihydroxy-4-quinolinecarboxylic acid

Details

Top
Internal ID 7079d98a-714b-4457-8aec-b7503e0c716d
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxylic acids
IUPAC Name 8-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
SMILES (Canonical) C1=CC2=C(C(=C1)O)NC(=O)C=C2C(=O)O
SMILES (Isomeric) C1=CC2=C(C(=C1)O)NC(=O)C=C2C(=O)O
InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChI Key DVEVPRIOUKVFAM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H7NO4
Molecular Weight 205.17 g/mol
Exact Mass 205.03750770 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP 0.20

Synonyms

Top
30536-55-1
2,8-dihydroxy-4-quinolinecarboxylic acid
8-HYDROXY-2-OXO-1H-QUINOLINE-4-CARBOXYLIC ACID
JL3EK47T4D
1,2-Dihydro-8-hydroxy-2-oxo-4-quinolinecarboxylic acid
8-Hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 1,2-dihydro-8-hydroxy-2-oxo-
8-Oxidanyl-2-oxidanylidene-1H-quinoline-4-carboxylic acid
UNII-JL3EK47T4D
2,8-Dihydroxycinchoninic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 2,8-Dihydroxy-4-quinolinecarboxylic acid

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.64% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.01% 91.11%
CHEMBL2535 P11166 Glucose transporter 93.73% 98.75%
CHEMBL2581 P07339 Cathepsin D 93.51% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.54% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 91.14% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.07% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.41% 85.14%
CHEMBL213 P08588 Beta-1 adrenergic receptor 88.46% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 86.18% 94.80%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.09% 99.15%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.40% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.65% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.52% 91.71%
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 80.81% 95.72%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Zea mays

Cross-Links

Top
PubChem 13988328
LOTUS LTS0147618
wikiData Q82434556