5,2'-Dihydroxy-7,4'-dimethoxyflavanone

Details

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Internal ID 6dc72358-0228-4e60-a01a-342705b4bb34
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O
SMILES (Isomeric) COC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O
InChI InChI=1S/C17H16O6/c1-21-9-3-4-11(12(18)5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3
InChI Key SNKAPDDRKJEOFE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H16O6
Molecular Weight 316.30 g/mol
Exact Mass 316.09468823 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.70

Synonyms

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5,2'-Dihydroxy-7,4'-dimethoxyflavanone
CHEBI:175062
LMPK12140535
2',5-Dihydroxy-4',7-dimethoxyflavanone
5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 5,2'-Dihydroxy-7,4'-dimethoxyflavanone

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 98.19% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.55% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.41% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.95% 99.15%
CHEMBL2581 P07339 Cathepsin D 92.49% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.40% 99.23%
CHEMBL4208 P20618 Proteasome component C5 89.61% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.58% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.03% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.39% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.81% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.81% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.69% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.42% 99.17%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.26% 91.07%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.23% 96.12%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.78% 93.40%
CHEMBL2535 P11166 Glucose transporter 83.74% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.12% 92.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.41% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.71% 89.00%
CHEMBL2056 P21728 Dopamine D1 receptor 81.38% 91.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.38% 90.71%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.51% 100.00%

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.
Artocarpus heterophyllus

Cross-Links

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PubChem 15227613
LOTUS LTS0236036
wikiData Q105256511