5,10-Dihydroxy-12-(2-hydroxy-3-methylbut-3-enyl)-2,2,11-trimethylpyrano[3,2-b]acridin-6-one
| Internal ID | c018134a-75f1-470a-b718-b0157e2fb9b3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 5,10-dihydroxy-12-(2-hydroxy-3-methylbut-3-enyl)-2,2,11-trimethylpyrano[3,2-b]acridin-6-one |
| SMILES (Canonical) | CC(=C)C(CC1=C2C(=C(C3=C1N(C4=C(C3=O)C=CC=C4O)C)O)C=CC(O2)(C)C)O |
| SMILES (Isomeric) | CC(=C)C(CC1=C2C(=C(C3=C1N(C4=C(C3=O)C=CC=C4O)C)O)C=CC(O2)(C)C)O |
| InChI | InChI=1S/C24H25NO5/c1-12(2)17(27)11-15-20-18(22(29)14-9-10-24(3,4)30-23(14)15)21(28)13-7-6-8-16(26)19(13)25(20)5/h6-10,17,26-27,29H,1,11H2,2-5H3 |
| InChI Key | LTITVOJKGPXGEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H25NO5 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 5,10-Dihydroxy-12-(2-hydroxy-3-methylbut-3-enyl)-2,2,11-trimethylpyrano[3,2-b]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/510-dihydroxy-12-2-hydroxy-3-methylbut-3-enyl-2211-trimethylpyrano32-bacridin-6-one.jpg "2D Structure of 5,10-Dihydroxy-12-(2-hydroxy-3-methylbut-3-enyl)-2,2,11-trimethylpyrano[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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.38% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.92% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.22% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.39% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.95% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.35% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.46% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.54% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.31% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.29% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.06% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.07% | 95.34% |
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.
| Bosistoa transversa |
| PubChem | 15286418 |
| LOTUS | LTS0123694 |
| wikiData | Q105156963 |