(2S)-5,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | e0a8913e-2ff8-4323-ae88-2d33dcdfa4f4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2S)-5,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC |
| InChI | InChI=1S/C20H22O7/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,15H,10H2,1-5H3/t15-/m0/s1 |
| InChI Key | HZWSAUOBLMSNPL-HNNXBMFYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.74% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.43% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.29% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.88% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.12% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.63% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.45% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.27% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.20% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.18% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.79% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.29% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.37% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.03% | 94.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.56% | 96.86% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.48% | 100.00% |
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.
| Andrographis affinis |
| PubChem | 637184 |
| LOTUS | LTS0131660 |
| wikiData | Q105035927 |