5-Hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-one

Details

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Internal ID b2d1618c-e3d6-43e9-bd7b-a6f1b716df43
Taxonomy Phenylpropanoids and polyketides > Neoflavonoids > Neoflavones
IUPAC Name 5-hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-16(19)22-15-8-12(21-2)7-14(18)17(13)15/h3-9,18H,1-2H3
InChI Key NVAIGVSBIOLKIM-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O5
Molecular Weight 298.29 g/mol
Exact Mass 298.08412354 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.84% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.44% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.35% 99.15%
CHEMBL2581 P07339 Cathepsin D 95.02% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.32% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.90% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.70% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 88.50% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.43% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.53% 86.92%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.51% 89.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.30% 93.65%
CHEMBL4208 P20618 Proteasome component C5 85.13% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.03% 96.09%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 84.37% 95.53%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.31% 99.23%
CHEMBL3194 P02766 Transthyretin 84.29% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 82.04% 94.73%
CHEMBL1951 P21397 Monoamine oxidase A 81.50% 91.49%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.87% 95.50%
CHEMBL1929 P47989 Xanthine dehydrogenase 80.07% 96.12%

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.
Exostema acuminatum

Cross-Links

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PubChem 14159738
LOTUS LTS0113062
wikiData Q105186124