Hesperetin 3'-methyl ether

Details

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Internal ID 317c0891-82fb-4258-a131-d0298bdfdab7
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids
IUPAC Name (2S)-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI InChI=1S/C17H16O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-7,14,18-19H,8H2,1-2H3/t14-/m0/s1
InChI Key HRFSSDXPHTZMLA-AWEZNQCLSA-N
Popularity 0 references 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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Homohesperetin
Hesperetin 3'-methyl ether
3',4'-Di-O-methyleriodictyol
4'-O-Methylhomoeriodictyol
0G7769S94E
5,7-Dihydroxy-3',4'-dimethoxyflavanone
UNII-0G7769S94E
89294-54-2
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
Q27236743
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Hesperetin 3'-methyl ether

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 96.99% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.84% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.06% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.68% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.74% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.07% 97.09%
CHEMBL4208 P20618 Proteasome component C5 89.97% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.95% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.50% 94.45%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.18% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.17% 99.23%
CHEMBL2535 P11166 Glucose transporter 88.00% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.00% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.65% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.60% 95.89%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.53% 96.12%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.12% 96.21%
CHEMBL3194 P02766 Transthyretin 83.15% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.99% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.53% 93.99%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.45% 97.14%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.79% 90.71%

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.
Cyanthillium cinereum
Erythrina velutina

Cross-Links

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PubChem 14466294
LOTUS LTS0195646
wikiData Q27236743