8-(7-Hydroxy-4-methoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-2-one

Details

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Internal ID d06b1265-31cb-4b3c-8f00-058a47c2604e
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins
IUPAC Name 8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H20O8/c1-10-6-13(27-3)22(23-19(10)14(28-4)8-18(26)31-23)20-11(2)21-15(29-5)9-17(25)30-16(21)7-12(20)24/h6-9,24H,1-5H3
InChI Key SDIIWOICLXDNES-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H20O8
Molecular Weight 424.40 g/mol
Exact Mass 424.11581759 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-(7-Hydroxy-4-methoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-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 97.79% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.63% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.79% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.20% 94.45%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 91.60% 96.21%
CHEMBL2581 P07339 Cathepsin D 90.94% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.42% 99.23%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 89.57% 95.70%
CHEMBL4208 P20618 Proteasome component C5 88.77% 90.00%
CHEMBL3194 P02766 Transthyretin 86.54% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.88% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.68% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.44% 99.15%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.87% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.74% 85.14%
CHEMBL2535 P11166 Glucose transporter 82.33% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.83% 96.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 13871794
LOTUS LTS0077012
wikiData Q105250664