5,10-Dihydroxy-2,2,11-trimethyl-12-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]acridin-6-one
| Internal ID | 4da08784-4093-41bb-80a0-5b90e9ca1251 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 5,10-dihydroxy-2,2,11-trimethyl-12-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]acridin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H27NO4/c1-13(2)9-10-15-20-18(22(28)16-11-12-24(3,4)29-23(15)16)21(27)14-7-6-8-17(26)19(14)25(20)5/h6-9,26,28H,10-12H2,1-5H3 |
| InChI Key | PPAVBDPVSWCJDM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 5,10-Dihydroxy-2,2,11-trimethyl-12-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/510-dihydroxy-2211-trimethyl-12-3-methylbut-2-enyl-34-dihydropyrano32-bacridin-6-one.jpg "2D Structure of 5,10-Dihydroxy-2,2,11-trimethyl-12-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]acridin-6-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 | 99.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.89% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.20% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.53% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.42% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.78% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.57% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.30% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.53% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.04% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.67% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.89% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.23% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.39% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.20% | 85.30% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.63% | 90.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.55% | 93.10% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.35% | 95.83% |
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.
| Citrus japonica |
| PubChem | 162911236 |
| LOTUS | LTS0070654 |
| wikiData | Q105212792 |