2-(4-Hydroxyphenyl)-6-methoxy-1-methylquinolin-4-one

Details

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Internal ID 49d04bbc-d36a-4cac-91e5-656b25b73186
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
IUPAC Name 2-(4-hydroxyphenyl)-6-methoxy-1-methylquinolin-4-one
SMILES (Canonical) CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
SMILES (Isomeric) CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
InChI InChI=1S/C17H15NO3/c1-18-15-8-7-13(21-2)9-14(15)17(20)10-16(18)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3
InChI Key COFCROPUZBFJMG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H15NO3
Molecular Weight 281.30 g/mol
Exact Mass 281.10519334 g/mol
Topological Polar Surface Area (TPSA) 49.80 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4-Hydroxyphenyl)-6-methoxy-1-methylquinolin-4-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.86% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.62% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.00% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.45% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.98% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.92% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.55% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 87.93% 93.31%
CHEMBL4208 P20618 Proteasome component C5 87.25% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.93% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.36% 93.40%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.83% 93.99%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.57% 86.92%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 83.54% 95.53%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 83.24% 93.10%
CHEMBL3438 Q05513 Protein kinase C zeta 82.84% 88.48%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.18% 89.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 82.15% 92.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.82% 99.17%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 81.22% 93.24%
CHEMBL242 Q92731 Estrogen receptor beta 80.62% 98.35%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.59% 93.65%
CHEMBL2535 P11166 Glucose transporter 80.36% 98.75%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.08% 95.89%

Plants that contains it

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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.
Skimmia reevesiana

Cross-Links

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PubChem 86150909
LOTUS LTS0050774
wikiData Q104966839