5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone

Details

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Internal ID bac50330-c301-449b-9943-f6996ea449ff
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=CC(=C1OC)O)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
SMILES (Isomeric) COC1=CC(=CC(=C1OC)O)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
InChI InChI=1S/C19H20O8/c1-23-14-6-9(5-11(21)18(14)25-3)12-7-10(20)16-13(27-12)8-15(24-2)19(26-4)17(16)22/h5-6,8,12,21-22H,7H2,1-4H3
InChI Key ABIJRPKPVBZTCW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O8
Molecular Weight 376.40 g/mol
Exact Mass 376.11581759 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP 2.60

Synonyms

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CHEBI:193386
LMPK12140638
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone

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 98.96% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.43% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.72% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.17% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.36% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.96% 89.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 90.91% 92.68%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.01% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.91% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.13% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.36% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.88% 97.09%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 82.03% 96.86%
CHEMBL4208 P20618 Proteasome component C5 81.89% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.56% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.50% 90.71%
CHEMBL2581 P07339 Cathepsin D 81.41% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.26% 99.15%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.62% 82.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.39% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.02% 92.62%

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.
Greigia sphacelata

Cross-Links

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PubChem 10833336
LOTUS LTS0220924
wikiData Q104908628