[(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate
| Internal ID | c13654d2-7266-47f5-9a7f-dd554024e009 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | [(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CN2CC3=C(C4=C(C=C3C15C2CC(C=C5)OC)OCO4)OC |
| SMILES (Isomeric) | CC(=O)O[C@@H]1CN2CC3=C(C4=C(C=C3[C@]15[C@H]2C[C@H](C=C5)OC)OCO4)OC |
| InChI | InChI=1S/C20H23NO6/c1-11(22)27-17-9-21-8-13-14(7-15-19(18(13)24-3)26-10-25-15)20(17)5-4-12(23-2)6-16(20)21/h4-5,7,12,16-17H,6,8-10H2,1-3H3/t12-,16+,17+,20+/m0/s1 |
| InChI Key | DZXAUWNEDZVVNU-XZVYQEECSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H23NO6 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/07372a30-8555-11ee-955e-75478a2cfde0.jpg "2D Structure of [(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.30% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.97% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.61% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.43% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.02% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 92.30% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.61% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.01% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.79% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.34% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.89% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.41% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.48% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.04% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.89% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.34% | 92.94% |
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.
| Brunsvigia josephinae |
| Nerine bowdenii |
| PubChem | 145967039 |
| LOTUS | LTS0081298 |
| wikiData | Q104992082 |