3,4-dihydroxy-1-methyl-3-(3-methylbut-2-enyl)-4H-quinolin-2-one

Details

• Internal ID: c1887a11-3079-49ff-9ad2-5615ae925727
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
• IUPAC Name: 3,4-dihydroxy-1-methyl-3-(3-methylbut-2-enyl)-4H-quinolin-2-one
• InChI: InChI=1S/C15H19NO3/c1-10(2)8-9-15(19)13(17)11-6-4-5-7-12(11)16(3)14(15)18/h4-8,13,17,19H,9H2,1-3H3
• InChI Key: FEPKUMYKOJNXBH-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.32 g/mol
• Exact Mass: 261.13649347 g/mol
• Topological Polar Surface Area (TPSA): 60.80 Ų
• XlogP: 1.40

Synonyms

There are no found synonyms.

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
CHEMBL2581	P07339	Cathepsin D	98.20%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.63%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.26%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.20%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.11%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.66%	85.14%
CHEMBL221	P23219	Cyclooxygenase-1	85.50%	90.17%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.57%	82.69%

Plants that contains it

• Boronia pinnata

Cross-Links

• PubChem: 85168031
• LOTUS: LTS0025787
• wikiData: Q104994115