(1S,3S,12R,14S,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
| Internal ID | 5bbf9abc-99dc-49ec-ae66-e2f6a5bad1f4 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (1S,3S,12R,14S,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H19N5O4/c1-11-20(30)28-15-9-5-3-7-13(15)23(32)10-16-19(29)25-18(26(11)22(23)28)17-24-14-8-4-2-6-12(14)21(31)27(16)17/h2-9,11,16,18,22,32H,10H2,1H3,(H,25,29)/t11-,16-,18-,22-,23+/m0/s1 |
| InChI Key | MLDFAXSXLVAFNZ-KLNPASKUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H19N5O4 |
| Molecular Weight | 429.40 g/mol |
| Exact Mass | 429.14370410 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,3S,12R,14S,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione](https://plantaedb.com/storage/docs/compounds/2023/11/288aa4f0-829e-11ee-b6aa-d3d99a59cc7f.jpg "2D Structure of (1S,3S,12R,14S,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.66% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.15% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.42% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.71% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.33% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.51% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.93% | 94.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.50% | 95.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.80% | 96.39% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.78% | 96.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.77% | 97.64% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.94% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.18% | 92.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.38% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.72% | 89.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.48% | 90.71% |
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 | 162848307 |
| LOTUS | LTS0055270 |
| wikiData | Q105166522 |