4'-O-Methylisoflavone

Details

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Internal ID 73318332-819d-4b17-ad3c-f6d079c956a8
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name 3-(4-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
SMILES (Isomeric) COC1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-10H,1H3
InChI Key RIKPNWPEMPODJD-UHFFFAOYSA-N
Popularity 21 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O3
Molecular Weight 252.26 g/mol
Exact Mass 252.078644241 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 3.20

Synonyms

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4'-O-Methylisoflavone
1621-58-5
3-(4-methoxyphenyl)chromen-4-one
3-(4-Methoxyphenyl)-4H-chromen-4-one
CHEBI:1734
4?-Methoxyisoflavone
a 4'-methoxyisoflavone
Maybridge3_000602
C03074
SCHEMBL73754
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'-O-Methylisoflavone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.97% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.95% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.96% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 94.78% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.66% 94.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 89.44% 92.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.57% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.53% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.65% 95.50%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.47% 85.14%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.96% 93.65%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.54% 89.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.56% 97.14%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.59% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.38% 99.15%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.36% 92.62%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 80.25% 96.47%

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.
Hedysarum polybotrys

Cross-Links

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PubChem 439901
LOTUS LTS0117809
wikiData Q27067433