(3,4,5-trihydroxy-6-methyloxan-2-yl) 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate
| Internal ID | 1839e829-66db-4009-920f-b1696c5f4bde |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | (3,4,5-trihydroxy-6-methyloxan-2-yl) 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(=O)C2=C3C(=CC=C2)N(C4=C(N3)C=CC(=C4)C(=O)C5=CC=CC=C5)CC=C(C)C)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC(=O)C2=C3C(=CC=C2)N(C4=C(N3)C=CC(=C4)C(=O)C5=CC=CC=C5)CC=C(C)C)O)O)O |
| InChI | InChI=1S/C31H32N2O7/c1-17(2)14-15-33-23-11-7-10-21(30(38)40-31-29(37)28(36)26(34)18(3)39-31)25(23)32-22-13-12-20(16-24(22)33)27(35)19-8-5-4-6-9-19/h4-14,16,18,26,28-29,31-32,34,36-37H,15H2,1-3H3 |
| InChI Key | RUHDXYLYIPBNAE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H32N2O7 |
| Molecular Weight | 544.60 g/mol |
| Exact Mass | 544.22095136 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.78% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.76% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.33% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.37% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.37% | 94.62% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 86.54% | 85.83% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.94% | 81.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.43% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.22% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.28% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.28% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.62% | 99.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.60% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 82.11% | 97.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.87% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.54% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162886483 |
| LOTUS | LTS0077271 |
| wikiData | Q104196949 |