Aflaquinolone G

Details

• Internal ID: 8fec4650-6158-4952-b4a6-5aeba30c4138
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
• IUPAC Name: (3R,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
• InChI: InChI=1S/C15H13NO3/c17-13-14(18)16-12-9-5-4-8-11(12)15(13,19)10-6-2-1-3-7-10/h1-9,13,17,19H,(H,16,18)/t13-,15-/m0/s1
• InChI Key: ICAOEYXCZNNQNW-ZFWWWQNUSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.27 g/mol
• Exact Mass: 255.08954328 g/mol
• Topological Polar Surface Area (TPSA): 69.60 Ų
• XlogP: 0.90

Synonyms

• CHEMBL2024584

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	97.74%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.87%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.45%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.08%	98.95%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	87.86%	94.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.38%	96.09%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	85.27%	94.23%
CHEMBL221	P23219	Cyclooxygenase-1	83.89%	90.17%
CHEMBL4208	P20618	Proteasome component C5	82.80%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.55%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 57381072
• LOTUS: LTS0205258
• wikiData: Q77495104