(3,4,5-trihydroxy-6-methyloxan-2-yl) 5,9-bis(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate
| Internal ID | 0e40e1d8-0a3d-4c38-bf31-9d39e04c7a83 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | (3,4,5-trihydroxy-6-methyloxan-2-yl) 5,9-bis(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(=O)C2=C3C(=CC=C2)N(C4=CC=CC(=C4N3)CC=C(C)C)CC=C(C)C)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC(=O)C2=C3C(=CC=C2)N(C4=CC=CC(=C4N3)CC=C(C)C)CC=C(C)C)O)O)O |
| InChI | InChI=1S/C29H36N2O6/c1-16(2)12-13-19-8-6-10-21-23(19)30-24-20(9-7-11-22(24)31(21)15-14-17(3)4)28(35)37-29-27(34)26(33)25(32)18(5)36-29/h6-12,14,18,25-27,29-30,32-34H,13,15H2,1-5H3 |
| InChI Key | OPIGTSQJZVNRJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36N2O6 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.81% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.59% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.38% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.98% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.17% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.21% | 91.24% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.45% | 85.83% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.28% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.80% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.78% | 97.25% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.15% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.13% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 162863254 |
| LOTUS | LTS0223096 |
| wikiData | Q104193590 |