5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone

Details

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Internal ID 923df085-69e0-430e-a068-84f941bc50f3
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-3,7-dimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3OC)OC)OC)O
SMILES (Isomeric) COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3OC)OC)OC)O
InChI InChI=1S/C20H20O8/c1-23-10-6-12(21)17-16(7-10)28-19(20(27-5)18(17)22)11-8-14(25-3)15(26-4)9-13(11)24-2/h6-9,21H,1-5H3
InChI Key ISPSTOKDVQHMIJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O8
Molecular Weight 388.40 g/mol
Exact Mass 388.11581759 g/mol
Topological Polar Surface Area (TPSA) 92.70 Ų
XlogP 3.40

Synonyms

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CHEBI:185929
LMPK12112531
5-hydroxy-3,7-dimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one

2D Structure

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2D Structure of 5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone

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 96.61% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.47% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.28% 94.00%
CHEMBL2535 P11166 Glucose transporter 91.09% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.12% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.89% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.85% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.44% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.93% 85.14%
CHEMBL4208 P20618 Proteasome component C5 86.65% 90.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.29% 99.23%
CHEMBL3194 P02766 Transthyretin 86.12% 90.71%
CHEMBL2581 P07339 Cathepsin D 84.87% 98.95%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 82.23% 94.42%
CHEMBL3401 O75469 Pregnane X receptor 81.01% 94.73%

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.
Distemonanthus benthamianus

Cross-Links

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PubChem 44259521
LOTUS LTS0058464
wikiData Q105119717