(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) acetate
| Internal ID | bbd53968-d1be-4297-8aea-4f0330f26b4d |
| Taxonomy | Alkaloids and derivatives > Camptothecins |
| IUPAC Name | (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) acetate |
| SMILES (Canonical) | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)OC(=O)C |
| SMILES (Isomeric) | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)OC(=O)C |
| InChI | InChI=1S/C23H20N2O6/c1-4-23(31-12(2)26)17-9-19-20-14(7-13-8-15(29-3)5-6-18(13)24-20)10-25(19)21(27)16(17)11-30-22(23)28/h5-9H,4,10-11H2,1-3H3 |
| InChI Key | DPHRQQLBEUIERE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20N2O6 |
| Molecular Weight | 420.40 g/mol |
| Exact Mass | 420.13213636 g/mol |
| Topological Polar Surface Area (TPSA) | 95.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (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) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9d3afa30-8158-11ee-b44a-2946230f1d54.jpg "2D Structure of (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) acetate")
| 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 | 99.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.68% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.80% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 95.06% | 97.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.83% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.46% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.02% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.39% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.89% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.76% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.40% | 92.62% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.08% | 81.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.60% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.25% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.62% | 100.00% |
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.
| Camptotheca acuminata |
| PubChem | 77976233 |
| LOTUS | LTS0223824 |
| wikiData | Q104986511 |