5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone

Details

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Internal ID 4979fcaf-9bfb-4bed-9f5a-7691a0f43e86
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids
IUPAC Name 5,7-dihydroxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC)OC)OC
SMILES (Isomeric) COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC)OC)OC
InChI InChI=1S/C19H18O8/c1-23-15-7-10(17(24-2)19(26-4)18(15)25-3)13-8-12(22)16-11(21)5-9(20)6-14(16)27-13/h5-8,20-21H,1-4H3
InChI Key ZYVBPTWKKGRSOZ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O8
Molecular Weight 374.30 g/mol
Exact Mass 374.10016753 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP 2.00

Synonyms

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206358-02-3
CHEMBL2296064
5,7-dihydroxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one
LMPK12110954
5,7-Dihydroxy-2-(2,3,4,5-tetramethoxy-phenyl)-1-benzopyran-4-one

2D Structure

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2D Structure of 5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone

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 96.81% 91.11%
CHEMBL3194 P02766 Transthyretin 94.53% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.18% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.35% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.44% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.49% 86.33%
CHEMBL2581 P07339 Cathepsin D 86.93% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.16% 99.17%
CHEMBL2535 P11166 Glucose transporter 84.44% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.04% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.40% 93.99%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.82% 99.15%
CHEMBL4208 P20618 Proteasome component C5 80.77% 90.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.17% 96.95%

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.
Gardenia thailandica
Psiadia punctulata

Cross-Links

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PubChem 5742694
LOTUS LTS0060957
wikiData Q105386452