7-Methoxy-3-(3-pyridyl)methylene-4-chromanone

Details

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Internal ID 003be9e1-a74b-4cd1-b64a-534df7cafb32
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
IUPAC Name 7-methoxy-3-(pyridin-3-ylmethylidene)chromen-4-one
SMILES (Canonical) COC1=CC2=C(C=C1)C(=O)C(=CC3=CN=CC=C3)CO2
SMILES (Isomeric) COC1=CC2=C(C=C1)C(=O)C(=CC3=CN=CC=C3)CO2
InChI InChI=1S/C16H13NO3/c1-19-13-4-5-14-15(8-13)20-10-12(16(14)18)7-11-3-2-6-17-9-11/h2-9H,10H2,1H3
InChI Key GRYIOZGUFRAETE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H13NO3
Molecular Weight 267.28 g/mol
Exact Mass 267.08954328 g/mol
Topological Polar Surface Area (TPSA) 48.40 Ų
XlogP 2.20

Synonyms

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7-Methoxy-3-(3-pyridyl)methylene-4-chromanone
7-methoxy-3-[1-(3-pyridyl)methylidene]-4-chromanone

2D Structure

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2D Structure of 7-Methoxy-3-(3-pyridyl)methylene-4-chromanone

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 95.53% 91.11%
CHEMBL2039 P27338 Monoamine oxidase B 94.94% 92.51%
CHEMBL1951 P21397 Monoamine oxidase A 94.93% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.16% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.33% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.45% 98.95%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 90.37% 92.86%
CHEMBL4208 P20618 Proteasome component C5 89.93% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.87% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.61% 96.09%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 89.44% 85.30%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.46% 94.80%
CHEMBL1907 P15144 Aminopeptidase N 88.11% 93.31%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.38% 94.45%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 86.85% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.12% 95.89%
CHEMBL5203 P33316 dUTP pyrophosphatase 85.99% 99.18%
CHEMBL226 P30542 Adenosine A1 receptor 85.55% 95.93%
CHEMBL2243 O00519 Anandamide amidohydrolase 84.45% 97.53%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.32% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.16% 99.23%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 84.06% 100.00%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 83.75% 95.55%
CHEMBL1929 P47989 Xanthine dehydrogenase 83.62% 96.12%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.57% 96.67%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.01% 93.40%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 81.97% 80.96%
CHEMBL2535 P11166 Glucose transporter 81.96% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.40% 97.09%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.88% 100.00%

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.
Derris ovalifolia

Cross-Links

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PubChem 53854154
LOTUS LTS0206479
wikiData Q105016837