28-Hydroxy-1,4,11,20-tetrazaheptacyclo[13.11.1.12,14.03,12.05,10.019,27.021,26]octacosa-3,5,7,9,11,15(27),17,19,21,23,25-undecaen-16-one
| Internal ID | 4e118da4-d83d-4736-8421-405c37cc8436 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 28-hydroxy-1,4,11,20-tetrazaheptacyclo[13.11.1.12,14.03,12.05,10.019,27.021,26]octacosa-3,5,7,9,11,15(27),17,19,21,23,25-undecaen-16-one |
| SMILES (Canonical) | C1C2C(C(C3=NC4=CC=CC=C4N=C31)N5C6=CC=CC=C6N=C7C5=C2C(=O)C=C7)O |
| SMILES (Isomeric) | C1C2C(C(C3=NC4=CC=CC=C4N=C31)N5C6=CC=CC=C6N=C7C5=C2C(=O)C=C7)O |
| InChI | InChI=1S/C24H16N4O2/c29-19-10-9-16-22-20(19)12-11-17-21(27-14-6-2-1-5-13(14)25-17)23(24(12)30)28(22)18-8-4-3-7-15(18)26-16/h1-10,12,23-24,30H,11H2 |
| InChI Key | OQDMMLQMJGUYRL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H16N4O2 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.12732577 g/mol |
| Topological Polar Surface Area (TPSA) | 78.70 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 28-Hydroxy-1,4,11,20-tetrazaheptacyclo[13.11.1.12,14.03,12.05,10.019,27.021,26]octacosa-3,5,7,9,11,15(27),17,19,21,23,25-undecaen-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/4a459a80-85d4-11ee-a2c5-252be6e6d0d9.jpg "2D Structure of 28-Hydroxy-1,4,11,20-tetrazaheptacyclo[13.11.1.12,14.03,12.05,10.019,27.021,26]octacosa-3,5,7,9,11,15(27),17,19,21,23,25-undecaen-16-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.34% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.07% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.75% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.54% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.89% | 86.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.85% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.54% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.52% | 98.59% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.00% | 85.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.44% | 100.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.93% | 98.46% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.81% | 98.75% |
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 | 76022430 |
| LOTUS | LTS0113280 |
| wikiData | Q104193615 |