[(12S,13R)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-yl] acetate
| Internal ID | 75722339-247a-4d7d-af72-8f6fd7a9d43f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | [(12S,13R)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-yl] acetate |
| SMILES (Canonical) | CC(=O)N1CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)OC(=O)C)OCO3 |
| SMILES (Isomeric) | CC(=O)N1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=CC=CC=C54)OC(=O)C)OCO3 |
| InChI | InChI=1S/C21H19NO5/c1-11(23)22-8-7-13-9-16-21(26-10-25-16)18-14-5-3-4-6-15(14)20(27-12(2)24)19(22)17(13)18/h3-6,9,19-20H,7-8,10H2,1-2H3/t19-,20+/m0/s1 |
| InChI Key | RECDUZGPRIBATN-VQTJNVASSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H19NO5 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [(12S,13R)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/985c2a80-8465-11ee-b8bb-c3a6b173babb.jpg "2D Structure of [(12S,13R)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.35% | 97.21% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.95% | 96.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.49% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.22% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 87.48% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.74% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.86% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.61% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.20% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.53% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.37% | 91.00% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 81.80% | 92.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.51% | 91.49% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.90% | 82.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.75% | 99.23% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.09% | 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.
| Lysichiton camtschatcensis |
| PubChem | 162989080 |
| LOTUS | LTS0207106 |
| wikiData | Q105234624 |