5-Methoxy-2-(4-methoxyphenyl)chromen-7-one

Details

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Internal ID e5d7ca93-704c-4928-9327-d97af2b2e505
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
IUPAC Name 5-methoxy-2-(4-methoxyphenyl)chromen-7-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=CC=C3C(=CC(=O)C=C3OC)O2
SMILES (Isomeric) COC1=CC=C(C=C1)C2=CC=C3C(=CC(=O)C=C3OC)O2
InChI InChI=1S/C17H14O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-10H,1-2H3
InChI Key QWKKIZJQYRIBHF-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H14O4
Molecular Weight 282.29 g/mol
Exact Mass 282.08920892 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Methoxy-2-(4-methoxyphenyl)chromen-7-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
CHEMBL1907 P15144 Aminopeptidase N 97.18% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.62% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.95% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.75% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.41% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.21% 91.11%
CHEMBL5747 Q92793 CREB-binding protein 89.71% 95.12%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.51% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.28% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.74% 99.15%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 86.36% 87.67%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 86.18% 81.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.07% 99.17%
CHEMBL2208 P49137 MAP kinase-activated protein kinase 2 85.31% 95.20%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 84.02% 95.53%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 83.91% 96.09%
CHEMBL4208 P20618 Proteasome component C5 83.27% 90.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.35% 96.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.78% 89.00%

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.
Imperata cylindrica

Cross-Links

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PubChem 162910514
LOTUS LTS0080897
wikiData Q105229236