[(19S)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] hexanoate
| Internal ID | a9a1b216-76b2-4077-867b-0afc1f9d7ebf |
| Taxonomy | Alkaloids and derivatives > Camptothecins |
| IUPAC Name | [(19S)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] hexanoate |
| SMILES (Canonical) | CCCCCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)CC |
| SMILES (Isomeric) | CCCCCC(=O)O[C@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)CC |
| InChI | InChI=1S/C27H28N2O6/c1-4-6-7-8-23(30)35-27(5-2)20-13-22-24-17(11-16-12-18(33-3)9-10-21(16)28-24)14-29(22)25(31)19(20)15-34-26(27)32/h9-13H,4-8,14-15H2,1-3H3/t27-/m0/s1 |
| InChI Key | FHNISFXQFOJLCB-MHZLTWQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28N2O6 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 95.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [(19S)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7dd7d250-8548-11ee-940b-f1797b87872a.jpg "2D Structure of [(19S)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 98.17% | 97.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.83% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.63% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.75% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.29% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.39% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.01% | 96.77% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.09% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.20% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.80% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.13% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.31% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.27% | 92.08% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.92% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.71% | 93.18% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.32% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.01% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.09% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.09% | 98.75% |
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 | 10227435 |
| LOTUS | LTS0139819 |
| wikiData | Q104995362 |