(2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
| Internal ID | 3ffe427a-adbc-4f84-a398-07687db898e0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | (2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CC(CO)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)Cl |
| SMILES (Isomeric) | C[C@](CO)([C@H]1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)Cl |
| InChI | InChI=1S/C19H18ClNO4/c1-19(20,9-22)15-7-11-14(25-15)8-13(23)16-17(11)21(2)12-6-4-3-5-10(12)18(16)24/h3-6,8,15,22-23H,7,9H2,1-2H3/t15-,19+/m1/s1 |
| InChI Key | NJSSDVNYKRNTDP-BEFAXECRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18ClNO4 |
| Molecular Weight | 359.80 g/mol |
| Exact Mass | 359.0924357 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2s-2-chloro-1-hydroxypropan-2-yl-5-hydroxy-11-methyl-12-dihydrofuro23-cacridin-6-one.jpg "2D Structure of (2R)-2-[(2S)-2-chloro-1-hydroxypropan-2-yl]-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.06% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.88% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.67% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.48% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.95% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.11% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.43% | 93.65% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 88.40% | 80.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.31% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.35% | 95.83% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.11% | 95.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.06% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.13% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.93% | 99.23% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.87% | 96.37% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 82.82% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.79% | 92.62% |
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.
| Ruta graveolens |
| PubChem | 163102890 |
| LOTUS | LTS0234794 |
| wikiData | Q105180297 |