(1S,10S,22R,23R,24S)-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione
| Internal ID | 5e86b4fc-1c51-4260-9abb-06811e3e57e1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,10S,22R,23R,24S)-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione |
| SMILES (Canonical) | C1CNCC2=CCOC3CC(=O)N4C5C3C2CC(=O)C51C6=CC=CC=C64 |
| SMILES (Isomeric) | C1CNCC2=CCO[C@H]3CC(=O)N4[C@H]5[C@H]3[C@H]2CC(=O)[C@@]51C6=CC=CC=C64 |
| InChI | InChI=1S/C21H22N2O3/c24-17-9-13-12-5-8-26-16-10-18(25)23-15-4-2-1-3-14(15)21(17,6-7-22-11-12)20(23)19(13)16/h1-5,13,16,19-20,22H,6-11H2/t13-,16-,19-,20-,21+/m0/s1 |
| InChI Key | ZMTRTSSBHBKGMR-VRTSWNMPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1S,10S,22R,23R,24S)-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/00b555a0-85ae-11ee-9876-4b7832b2ecca.jpg "2D Structure of (1S,10S,22R,23R,24S)-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.36% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 95.50% | 96.01% |
| CHEMBL228 | P31645 | Serotonin transporter | 95.30% | 95.51% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 93.68% | 88.84% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.11% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.10% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 90.99% | 96.39% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 90.39% | 96.06% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.95% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.31% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.30% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.32% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.85% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.90% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.51% | 85.11% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.77% | 98.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.26% | 100.00% |
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 | 163021543 |
| LOTUS | LTS0187264 |
| wikiData | Q105379716 |