1-[(4R,12S,13R,14S,18R,20S)-8,14-dimethoxy-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8,16-tetraen-11-yl]ethanone
| Internal ID | 570d1aab-e32b-4bd1-a611-ad09881598f3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1-[(4R,12S,13R,14S,18R,20S)-8,14-dimethoxy-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8,16-tetraen-11-yl]ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26N2O4/c1-12(25)24-17-8-14(26-2)4-5-16(17)22-6-7-23-10-13-11-28-21(27-3)19(20(22)24)15(13)9-18(22)23/h4-5,8,11,15,18-21H,6-7,9-10H2,1-3H3/t15-,18-,19+,20-,21-,22+/m0/s1 |
| InChI Key | KISKJMKSADKAMN-XEEILAJESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 1-[(4R,12S,13R,14S,18R,20S)-8,14-dimethoxy-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8,16-tetraen-11-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/10f68a40-864d-11ee-88dd-c512586ed00c.jpg "2D Structure of 1-[(4R,12S,13R,14S,18R,20S)-8,14-dimethoxy-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8,16-tetraen-11-yl]ethanone")
| 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 | 99.43% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.54% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.45% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.20% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.90% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.75% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.74% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.84% | 95.89% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 88.90% | 98.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.72% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.18% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.14% | 90.24% |
| CHEMBL240 | Q12809 | HERG | 83.71% | 89.76% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.57% | 97.53% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.28% | 91.03% |
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 angolensis |
| PubChem | 163042022 |
| LOTUS | LTS0097219 |
| wikiData | Q105141663 |