[(1S,14S,16R,20S,21R,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
| Internal ID | 12ebba76-3fb8-4024-8f3d-4cb77c5760a9 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | [(1S,14S,16R,20S,21R,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H41NO8/c1-19(35)40-25-12-9-22-10-13-30(38-4)26(15-22)27-16-23(11-14-31(27)39-5)29-18-32(41-20(2)36)33(42-21(3)37)28-8-6-7-24(17-25)34(28)29/h10-11,13-16,24-25,28-29,32-33H,6-9,12,17-18H2,1-5H3/t24-,25+,28+,29+,32-,33-/m1/s1 |
| InChI Key | NEKIHSCHYFCIRU-MSNGAKGGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H41NO8 |
| Molecular Weight | 579.70 g/mol |
| Exact Mass | 579.28321727 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [(1S,14S,16R,20S,21R,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/87c6c180-8657-11ee-9a6b-1fd1475f90ab.jpg "2D Structure of [(1S,14S,16R,20S,21R,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-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 | 99.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.56% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.96% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.95% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.60% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.68% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.53% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.88% | 88.48% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.24% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.23% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.03% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.38% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.38% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.07% | 89.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.03% | 96.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.82% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.58% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.17% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 163095502 |
| LOTUS | LTS0121351 |
| wikiData | Q105177994 |