Baraphenazine E
| Internal ID | 45f4e143-5c8d-4ece-819a-93d4650dc0a3 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | (1S,16S,28S)-20,28-dihydroxy-4,11,18,25-tetrazaheptacyclo[14.11.1.02,15.03,12.05,10.017,26.019,24]octacosa-2(15),3,5,7,9,11,13,17,19(24),20,22,25-dodecaene-9-carboxamide |
| SMILES (Canonical) | C1C2C(C(C3=C2C4=NC5=CC=CC(=C5N=C4C=C3)C(=O)N)C6=NC7=C(C=CC=C7O)N=C61)O |
| SMILES (Isomeric) | C1[C@@H]2[C@@H]([C@@H](C3=C2C4=NC5=CC=CC(=C5N=C4C=C3)C(=O)N)C6=NC7=C(C=CC=C7O)N=C61)O |
| InChI | InChI=1S/C25H17N5O3/c26-25(33)11-3-1-4-13-20(11)28-15-8-7-10-18(22(15)29-13)12-9-16-23(19(10)24(12)32)30-21-14(27-16)5-2-6-17(21)31/h1-8,12,19,24,31-32H,9H2,(H2,26,33)/t12-,19-,24-/m0/s1 |
| InChI Key | GXPOPLPOQDCTPY-JGWMJADOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H17N5O3 |
| Molecular Weight | 435.40 g/mol |
| Exact Mass | 435.13313942 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.50 |
| (1S,16S,28S)-20,28-dihydroxy-4,11,18,25-tetrazaheptacyclo(14.11.1.02,15.03,12.05,10.017,26.019,24)octacosa-2(15),3,5,7,9,11,13,17,19(24),20,22,25-dodecaene-9-carboxamide |
| (1S,16S,28S)-20,28-dihydroxy-4,11,18,25-tetrazaheptacyclo[14.11.1.02,15.03,12.05,10.017,26.019,24]octacosa-2(15),3,5,7,9,11,13,17,19(24),20,22,25-dodecaene-9-carboxamide |
| RefChem:116463 |
| CHEMBL4465010 |
| CHEBI:224281 |
| 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 | 98.51% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.83% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.44% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.02% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.79% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.01% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.50% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.24% | 85.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.19% | 95.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.72% | 93.04% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.24% | 83.10% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 145721016 |
| LOTUS | LTS0207105 |
| wikiData | Q105023292 |