5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone
Internal ID | 3172de30-77e3-443d-8df8-0a3bfd083b03 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
IUPAC Name | 5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one |
SMILES (Canonical) | COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
SMILES (Isomeric) | COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
InChI | InChI=1S/C20H20O9/c1-24-12-7-9(6-10(21)18(12)26-3)17-20(28-5)16(23)14-11(29-17)8-13(25-2)19(27-4)15(14)22/h6-8,21-22H,1-5H3 |
InChI Key | VGUJFXQAVCKLOB-UHFFFAOYSA-N |
Popularity | 5 references in papers |
Molecular Formula | C20H20O9 |
Molecular Weight | 404.40 g/mol |
Exact Mass | 404.11073221 g/mol |
Topological Polar Surface Area (TPSA) | 113.00 Ų |
XlogP | 3.10 |
LMPK12110622 |
3,6,7,4',5'-pentamethoxy-5,3'-dihydroxyflavone |
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxychromen-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 | 98.01% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.96% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.54% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.16% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.41% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.13% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.92% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.26% | 96.09% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.20% | 98.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.65% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 81.59% | 90.71% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.32% | 94.42% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.26% | 80.78% |
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.
Cleome droserifolia |
Hyoscyamus niger |
PubChem | 14037471 |
LOTUS | LTS0146824 |
wikiData | Q105286071 |