(19-Ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) hexanoate
| Internal ID | e12721bf-0d43-4ac0-8688-4c77972a5e6b |
| Taxonomy | Alkaloids and derivatives > Camptothecins |
| IUPAC Name | (19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) hexanoate |
| SMILES (Canonical) | CCCCCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC |
| SMILES (Isomeric) | CCCCCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC |
| InChI | InChI=1S/C26H26N2O5/c1-3-5-6-11-22(29)33-26(4-2)19-13-21-23-17(12-16-9-7-8-10-20(16)27-23)14-28(21)24(30)18(19)15-32-25(26)31/h7-10,12-13H,3-6,11,14-15H2,1-2H3 |
| InChI Key | SFRPDRJJDGZBBN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26N2O5 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 85.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (19-Ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/37243f40-856c-11ee-97ae-9fd4525f6aff.jpg "2D Structure of (19-Ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) hexanoate")
| 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 | 98.46% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 98.38% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.99% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.80% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.16% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.57% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.60% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.99% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.04% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.00% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.72% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.50% | 93.04% |
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.
| Camptotheca acuminata |
| PubChem | 163007581 |
| LOTUS | LTS0073427 |
| wikiData | Q105251980 |