1-(3,4-Dihydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanone
| Internal ID | 323c1c68-c06c-4cb6-baee-1550cd01e444 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 1-(3,4-dihydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1=C(C=C(C2=C1OC(C(C2O)O)(C)C)OC)OC |
| SMILES (Isomeric) | CC(=O)C1=C(C=C(C2=C1OC(C(C2O)O)(C)C)OC)OC |
| InChI | InChI=1S/C15H20O6/c1-7(16)10-8(19-4)6-9(20-5)11-12(17)14(18)15(2,3)21-13(10)11/h6,12,14,17-18H,1-5H3 |
| InChI Key | FNBRRJMBTVMTJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O6 |
| Molecular Weight | 296.31 g/mol |
| Exact Mass | 296.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 0.40 |
| 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 | 97.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.85% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.99% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.54% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.14% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.70% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.65% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.57% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.27% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.31% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.09% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.17% | 94.00% |
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.
| Melicope lunu-ankenda |
| PubChem | 162959302 |
| LOTUS | LTS0191762 |
| wikiData | Q104998203 |