(1S,10S,22R,23R,24S)-17-methoxy-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
| Internal ID | 6ef136e8-09ce-4895-ad80-ae76e217feba |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,10S,22R,23R,24S)-17-methoxy-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione |
| SMILES (Canonical) | COC1=CC2=C(C=C1)N3C4C25CCNCC6=CCOC(C4C6CC5=O)CC3=O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCNCC6=CCO[C@H]([C@@H]4[C@H]6CC5=O)CC3=O |
| InChI | InChI=1S/C22H24N2O4/c1-27-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-28-17-10-19(26)24(16)21(22)20(17)14(12)9-18(22)25/h2-4,8,14,17,20-21,23H,5-7,9-11H2,1H3/t14-,17-,20-,21-,22+/m0/s1 |
| InChI Key | JEELKUIYTZHUJW-ZXXLSYNSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O4 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 67.90 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1S,10S,22R,23R,24S)-17-methoxy-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c363c870-85ba-11ee-b42e-5b5b855dd65d.jpg "2D Structure of (1S,10S,22R,23R,24S)-17-methoxy-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-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 | 97.73% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.26% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.81% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.79% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.17% | 90.71% |
| CHEMBL204 | P00734 | Thrombin | 93.58% | 96.01% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.39% | 93.40% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.69% | 96.39% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.12% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.96% | 95.51% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.71% | 90.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.63% | 95.53% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.56% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.50% | 99.23% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.27% | 97.53% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.03% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.34% | 99.15% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.16% | 93.18% |
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 nux-vomica |
| PubChem | 163027976 |
| LOTUS | LTS0186738 |
| wikiData | Q105126020 |