4'-Hydroxy-5-methoxyflavone

Details

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Internal ID 6580339f-0801-418c-8139-e33e2c40ef6f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
IUPAC Name 2-(4-hydroxyphenyl)-5-methoxychromen-4-one
SMILES (Canonical) COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O
SMILES (Isomeric) COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O
InChI InChI=1S/C16H12O4/c1-19-13-3-2-4-14-16(13)12(18)9-15(20-14)10-5-7-11(17)8-6-10/h2-9,17H,1H3
InChI Key SOXQLRMCWAKIPS-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O4
Molecular Weight 268.26 g/mol
Exact Mass 268.07355886 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 1.90

Synonyms

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106848-87-7
2-(4-hydroxyphenyl)-5-methoxychromen-4-one
2-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-one
4/'-HYDROXY-5-METHOXYFLAVONE
TNP00059
ST056004
CHEMBL242384
SCHEMBL4649207
DTXSID20350271
SOXQLRMCWAKIPS-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4'-Hydroxy-5-methoxyflavone

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.96% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.15% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.11% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.55% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.06% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.85% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.42% 89.00%
CHEMBL2535 P11166 Glucose transporter 89.67% 98.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 88.15% 94.03%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.46% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.11% 99.23%
CHEMBL3194 P02766 Transthyretin 83.72% 90.71%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.99% 97.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.84% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.08% 95.50%
CHEMBL1907 P15144 Aminopeptidase N 81.81% 93.31%

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.
Dirca palustris

Cross-Links

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PubChem 676305
LOTUS LTS0209079
wikiData Q82126122