6,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one

Details

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Internal ID c08141df-91a4-413d-997e-aa552ee86831
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 6,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)OC)OC
SMILES (Isomeric) COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)OC)OC
InChI InChI=1S/C20H20O7/c1-22-14-7-6-11(19(25-4)20(14)26-5)15-9-13(21)12-8-17(23-2)18(24-3)10-16(12)27-15/h6-10H,1-5H3
InChI Key HDBYLRLXZAWUBT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O7
Molecular Weight 372.40 g/mol
Exact Mass 372.12090297 g/mol
Topological Polar Surface Area (TPSA) 72.40 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.80% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.11% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.09% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.19% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.98% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.17% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 87.88% 93.31%
CHEMBL2535 P11166 Glucose transporter 87.86% 98.75%
CHEMBL4040 P28482 MAP kinase ERK2 84.78% 83.82%
CHEMBL1255126 O15151 Protein Mdm4 83.55% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.36% 96.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 82.53% 96.21%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.96% 96.67%
CHEMBL4302 P08183 P-glycoprotein 1 80.48% 92.98%

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.
Pterodon emarginatus

Cross-Links

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PubChem 162990536
LOTUS LTS0132534
wikiData Q105026253