Quinolinone A

Details

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Internal ID 07a2b596-1fa3-4330-b79f-a565df04a7c9
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
IUPAC Name (3R,4R)-4-hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILES (Canonical) COC1C(=O)NC2=CC=CC=C2C1(C3=CC=C(C=C3)OC)O
SMILES (Isomeric) CO[C@H]1C(=O)NC2=CC=CC=C2[C@@]1(C3=CC=C(C=C3)OC)O
InChI InChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(20)13-5-3-4-6-14(13)18-16(19)15(17)22-2/h3-10,15,20H,1-2H3,(H,18,19)/t15-,17+/m0/s1
InChI Key VCKUOSKDXLTBDG-DOTOQJQBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H17NO4
Molecular Weight 299.32 g/mol
Exact Mass 299.11575802 g/mol
Topological Polar Surface Area (TPSA) 67.80 Ų
XlogP 1.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Quinolinone A

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.16% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.85% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.48% 96.09%
CHEMBL4208 P20618 Proteasome component C5 93.04% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.28% 85.14%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.76% 82.69%
CHEMBL2581 P07339 Cathepsin D 86.53% 98.95%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 85.27% 94.08%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 84.12% 92.67%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.85% 91.07%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.75% 94.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.71% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.89% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.70% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.90% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.86% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 25768656
LOTUS LTS0257043
wikiData Q77381922