(1S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
| Internal ID | 006d742d-d656-49e8-bd4c-681a2c07a85d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione |
| SMILES (Canonical) | CN1CCC23C4C5C(CC2=O)C(=CCOC5=CC(=O)N4C6=C3C=CC=C6O)C1 |
| SMILES (Isomeric) | CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCOC5=CC(=O)N4C6=C3C=CC=C6O)C1 |
| InChI | InChI=1S/C22H22N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,10,13,19,21,25H,6-9,11H2,1H3/t13-,19-,21-,22+/m0/s1 |
| InChI Key | USLKHPJTFNUGEP-VUWDCHAJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22N2O4 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/24758290-8514-11ee-944a-6992ea5de0f5.jpg "2D Structure of (1S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione")
| 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 | 97.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.07% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.89% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.46% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.23% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.10% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.42% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.58% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.53% | 97.25% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.76% | 96.39% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.75% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.99% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.73% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.92% | 99.15% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.86% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.65% | 93.65% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.49% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.01% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.09% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.31% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.01% | 94.75% |
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.
| Strychnos icaja |
| PubChem | 162921307 |
| LOTUS | LTS0128332 |
| wikiData | Q105278263 |