(3S)-6,11-dihydroxy-3-(hydroxymethyl)-3,12-dimethylpyrano[2,3-c]acridin-7-one
| Internal ID | 2b3ecda1-8fa9-4bb9-91a3-528d4780ba39 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | (3S)-6,11-dihydroxy-3-(hydroxymethyl)-3,12-dimethylpyrano[2,3-c]acridin-7-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)CO |
| SMILES (Isomeric) | C[C@]1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)CO |
| InChI | InChI=1S/C19H17NO5/c1-19(9-21)7-6-10-14(25-19)8-13(23)15-17(10)20(2)16-11(18(15)24)4-3-5-12(16)22/h3-8,21-23H,9H2,1-2H3/t19-/m0/s1 |
| InChI Key | WDEQSMPRZNCZDW-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 339.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (3S)-6,11-dihydroxy-3-(hydroxymethyl)-3,12-dimethylpyrano[2,3-c]acridin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-611-dihydroxy-3-hydroxymethyl-312-dimethylpyrano23-cacridin-7-one.jpg "2D Structure of (3S)-6,11-dihydroxy-3-(hydroxymethyl)-3,12-dimethylpyrano[2,3-c]acridin-7-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.76% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.41% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.65% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.39% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.11% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.08% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.48% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.13% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.93% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.30% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.27% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.07% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.49% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.41% | 89.63% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.41% | 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 maxima |
| PubChem | 162882999 |
| LOTUS | LTS0196052 |
| wikiData | Q105302306 |