20-Hydroxyrutacridone epoxide
| Internal ID | 95b804b8-1342-4631-91b5-7072c855b29d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C5(CO5)CO |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C5(CO5)CO |
| InChI | InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3 |
| InChI Key | OJJHKXKXZMBCHJ-UHFFFAOYSA-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) | 82.50 Ų |
| XlogP | 2.20 |
| CHEBI:174562 |
| DTXSID001116848 |
| 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one |
| 80565-10-2 |
| Furo[2,3-c]acridin-6(2H)-one, 1,11-dihydro-5-hydroxy-2-[2-(hydroxymethyl)-2-oxiranyl]-11-methyl- |
| 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 | 98.92% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.36% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.04% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.53% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.00% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.16% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.09% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.01% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.60% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.13% | 95.83% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.13% | 80.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.58% | 93.65% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.60% | 85.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.82% | 98.75% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.63% | 96.37% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.44% | 96.39% |
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 chalepensis |
| Ruta graveolens |
| PubChem | 100916216 |
| LOTUS | LTS0253074 |
| wikiData | Q105193122 |