Hesperetin 3'-methyl ether
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 |
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 |
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 of Hesperetin 3'-methyl ether 2D Structure of Hesperetin 3'-methyl ether](https://plantaedb.com/storage/docs/compounds/2023/11/hesperetin-3-methyl-ether.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
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% |
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.
To see more specific details click the taxa you are interested in.
Cyanthillium cinereum |
Erythrina velutina |
PubChem | 14466294 |
LOTUS | LTS0195646 |
wikiData | Q27236743 |