Lophocladine A

Details

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Internal ID 882a2707-a945-4598-bc57-75400e24cd5c
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines
IUPAC Name 4-phenyl-2H-2,7-naphthyridin-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H10N2O/c17-14-13-8-15-7-6-11(13)12(9-16-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChI Key JIWHQPVTDQXELV-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10N2O
Molecular Weight 222.24 g/mol
Exact Mass 222.079312947 g/mol
Topological Polar Surface Area (TPSA) 42.00 Ų
XlogP 1.40

Synonyms

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887705-27-3
2,7-Naphthyridin-1(2H)-one, 4-phenyl-
2BWU9P2UEB
4-Phenyl-2,7-naphthyridin-1(2H)-one
UNII-2BWU9P2UEB
4-PHENYL-2H-2,7-NAPHTHYRIDIN-1-ONE
Lophocladines A
CHEMBL472895
DTXSID90470935
4-phenyl[2,7]naphthyridin-1(2H)-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lophocladine 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
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 95.34% 93.24%
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 93.40% 95.72%
CHEMBL2581 P07339 Cathepsin D 90.56% 98.95%
CHEMBL5543 Q9Y463 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 90.42% 94.70%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 90.00% 92.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.24% 99.23%
CHEMBL5443 O00311 Cell division cycle 7-related protein kinase 88.94% 96.11%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 88.42% 96.47%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.76% 94.62%
CHEMBL255 P29275 Adenosine A2b receptor 86.73% 98.59%
CHEMBL221 P23219 Cyclooxygenase-1 85.76% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.87% 95.56%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 84.67% 95.55%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.57% 86.33%
CHEMBL202 P00374 Dihydrofolate reductase 84.43% 89.92%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.09% 93.03%
CHEMBL2973 O75116 Rho-associated protein kinase 2 82.94% 96.73%
CHEMBL2424504 P29375 Lysine-specific demethylase 5A 82.30% 99.23%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 81.98% 83.00%
CHEMBL3038469 P24941 CDK2/Cyclin A 81.44% 91.38%
CHEMBL1951 P21397 Monoamine oxidase A 80.79% 91.49%

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 11708368
LOTUS LTS0069882
wikiData Q82299156