7,2',4'-Trimethoxyflavone

Details

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Internal ID 6765f229-2344-4a3b-9786-471888986669
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(2,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILES (Canonical) COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C=C(C=C3)OC)OC
SMILES (Isomeric) COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C=C(C=C3)OC)OC
InChI InChI=1S/C18H16O5/c1-20-11-5-7-14(16(8-11)22-3)18-10-15(19)13-6-4-12(21-2)9-17(13)23-18/h4-10H,1-3H3
InChI Key YPQZGQIOLDZFBE-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O5
Molecular Weight 312.30 g/mol
Exact Mass 312.09977361 g/mol
Topological Polar Surface Area (TPSA) 54.00 Ų
XlogP 3.90

Synonyms

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7578-51-0
2-(2,4-dimethoxyphenyl)-7-methoxychromen-4-one
2-(2,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one
ST057372
SCHEMBL3691018
DTXSID50350981
YPQZGQIOLDZFBE-UHFFFAOYSA-N
4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-7-methoxy-
LMPK12110055
AKOS024282658
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 7,2',4'-Trimethoxyflavone

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 96.77% 91.11%
CHEMBL1907 P15144 Aminopeptidase N 96.31% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.11% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.12% 94.00%
CHEMBL2581 P07339 Cathepsin D 91.17% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.73% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 84.43% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.37% 86.33%
CHEMBL2535 P11166 Glucose transporter 84.29% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.19% 96.00%
CHEMBL4208 P20618 Proteasome component C5 83.36% 90.00%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 80.44% 96.86%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.12% 96.67%

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.
Albizia odoratissima

Cross-Links

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PubChem 688837
LOTUS LTS0096722
wikiData Q82127058