1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone
| Internal ID | 09ddd689-e4f7-473c-8e87-ced9a07ba2c7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone |
| SMILES (Canonical) | CC(=O)N1C2CCC34CCCN5C3(C2(CC5)C6=C1C(=CC=C6)OC)OCC4 |
| SMILES (Isomeric) | CC(=O)N1[C@@H]2CC[C@@]34CCCN5[C@]3([C@]2(CC5)C6=C1C(=CC=C6)OC)OCC4 |
| InChI | InChI=1S/C22H28N2O3/c1-15(25)24-18-7-9-20-8-4-12-23-13-10-21(18,22(20,23)27-14-11-20)16-5-3-6-17(26-2)19(16)24/h3,5-6,18H,4,7-14H2,1-2H3/t18-,20-,21-,22+/m1/s1 |
| InChI Key | BCCJQPBCOKOJHR-NMIHRBCNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/8e1edad0-870c-11ee-8636-59b348179e4a.jpg "2D Structure of 1-[(1R,4R,12R,16S)-7-methoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-5-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 | 99.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.83% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.83% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.81% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 86.42% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.75% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.88% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.81% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.95% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.52% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.60% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.30% | 96.00% |
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.
| Vallesia glabra |
| PubChem | 163039996 |
| LOTUS | LTS0153193 |
| wikiData | Q104923200 |