(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
| Internal ID | 620e79bf-f87a-4e5d-bc1c-5b2ab924a1d7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione |
| SMILES (Canonical) | CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5=CC(=O)N4C7=C3C=CC=C7OC |
| SMILES (Isomeric) | CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)[C@@]6(C1)[C@H](O6)COC5=CC(=O)N4C7=C3C=CC=C7OC |
| InChI | InChI=1S/C23H24N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,9,13,17,19,21H,6-8,10-11H2,1-2H3/t13-,17-,19+,21+,22-,23+/m1/s1 |
| InChI Key | CJXJFPZVDOJEAR-BQMRLHQHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24N2O5 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/061821a0-8452-11ee-901a-1b749d3e4a47.jpg "2D Structure of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.45% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.84% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.47% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.10% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.48% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.64% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 90.89% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.49% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.18% | 96.39% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.89% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.24% | 94.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.83% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.71% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.08% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.93% | 92.62% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.92% | 98.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.21% | 96.67% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.05% | 94.00% |
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 | 162866784 |
| LOTUS | LTS0154736 |
| wikiData | Q104961827 |