Flavanone, 3,5,7-trihydroxy-4'-methoxy-
Internal ID | f60137f1-a463-4504-adc7-7067d2a006e9 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
IUPAC Name | 3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
SMILES (Isomeric) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
InChI | InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3 |
InChI Key | CKDYDMSDCNQHEB-UHFFFAOYSA-N |
Popularity | 5 references in papers |
Molecular Formula | C16H14O6 |
Molecular Weight | 302.28 g/mol |
Exact Mass | 302.07903816 g/mol |
Topological Polar Surface Area (TPSA) | 96.20 Ų |
XlogP | 2.20 |
CHEMBL480655 |
CKDYDMSDCNQHEB-UHFFFAOYSA-N |
5,7-dihydroxy-4' -methoxydihydroflavonol |
Q3027878 |
3,5,7-Trihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one # |
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 | 98.56% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.25% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.48% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.47% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.16% | 91.49% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.09% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.91% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 88.66% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.24% | 97.09% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.16% | 93.99% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.65% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.45% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.34% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 86.30% | 98.75% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.14% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.20% | 99.17% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.97% | 96.12% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.13% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.02% | 94.45% |
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.
Baccharis dracunculifolia |
Chromolaena odorata |
Commiphora socotrana |
Prunus domestica |
Salix caprea |
PubChem | 586387 |
LOTUS | LTS0091702 |
wikiData | Q3027878 |