(9,15-Dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-yl) acetate
| Internal ID | 33dbfb7c-83b1-4e0c-957c-c86e577457c5 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23NO7/c1-9(22)27-15-7-21-6-10-11(4-13-17(16(10)24-3)26-8-25-13)20(15)14(21)5-12(23-2)18-19(20)28-18/h4,12,14-15,18-19H,5-8H2,1-3H3 |
| InChI Key | HUKHZLUIPVCSIS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO7 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 79.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (9,15-Dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f57219c0-85b6-11ee-8818-f510e1ca70a6.jpg "2D Structure of (9,15-Dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.54% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.78% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.78% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.72% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.61% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.25% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.47% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.21% | 82.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.72% | 89.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.70% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.52% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.91% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.80% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.17% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.52% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.39% | 96.00% |
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.
| Ammocharis tinneana |
| PubChem | 78180691 |
| LOTUS | LTS0121736 |
| wikiData | Q105033826 |