4-Methoxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione
| Internal ID | 01184969-ae79-40bc-895d-b5d0aff6880e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 4-methoxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione |
| SMILES (Canonical) | COC1=C2C=C(C=C1)C=CC(=O)NCCCCNCCCNC(=O)C=CC3=CC=C(O2)C=C3 |
| SMILES (Isomeric) | COC1=C2C=C(C=C1)C=CC(=O)NCCCCNCCCNC(=O)C=CC3=CC=C(O2)C=C3 |
| InChI | InChI=1S/C26H31N3O4/c1-32-23-12-7-21-9-14-26(31)28-17-3-2-15-27-16-4-18-29-25(30)13-8-20-5-10-22(11-6-20)33-24(23)19-21/h5-14,19,27H,2-4,15-18H2,1H3,(H,28,31)(H,29,30) |
| InChI Key | IXYCICGPUOJVOW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31N3O4 |
| Molecular Weight | 449.50 g/mol |
| Exact Mass | 449.23145648 g/mol |
| Topological Polar Surface Area (TPSA) | 88.70 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 4-Methoxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0d0e57a0-8517-11ee-b524-31b085c56fe7.jpg "2D Structure of 4-Methoxy-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.13% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.91% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.64% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.55% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.29% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.03% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.75% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.40% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.40% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.20% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.75% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.74% | 90.71% |
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.
| Cadaba farinosa |
| PubChem | 163007282 |
| LOTUS | LTS0154830 |
| wikiData | Q105122575 |