Rutagravine
| Internal ID | 392518c9-165c-4ee0-9670-510cb3aa358d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one |
| SMILES (Canonical) | CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O |
| SMILES (Isomeric) | CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O |
| InChI | InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3 |
| InChI Key | SWALXCKAJQTSAC-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) | 79.20 Ų |
| XlogP | 2.10 |
| NSC661203 |
| CHEMBL1977455 |
| CHEBI:173150 |
| DTXSID401107580 |
| NSC-661203 |
| 101330-60-3 |
| NCI60_021332 |
| 3,6-Dihydroxy-3,12-dimethyl-3,3a,12,12c-tetrahydrofuro[2',3':4,5]furo[2,3-c]acridin-7(2H)-one |
| 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,9,11,14,16,18-hexaen-13-one |
| 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.98% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.94% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.91% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.09% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.53% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.48% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.24% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.03% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.37% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.73% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.34% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.22% | 85.11% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.29% | 80.78% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 82.65% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.61% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.35% | 93.65% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.32% | 95.83% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
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 | 5465778 |
| LOTUS | LTS0083974 |
| wikiData | Q105262566 |