[(1R,14R,16S,20S,22S)-22-hydroxy-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 | 11433a2e-98f8-4e33-ad51-7e08f20bb62a |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | [(1R,14R,16S,20S,22S)-22-hydroxy-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/C29H37NO5/c1-18(31)35-24-10-7-19-8-11-28(33-2)25(13-19)26-14-20(9-12-29(26)34-3)27-17-23(32)15-21-5-4-6-22(16-24)30(21)27/h8-9,11-14,21-24,27,32H,4-7,10,15-17H2,1-3H3/t21-,22-,23-,24+,27+/m0/s1 |
| InChI Key | PHIFOVBJQMQYRQ-SJFDGGJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H37NO5 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [(1R,14R,16S,20S,22S)-22-hydroxy-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/d3c2b350-85fd-11ee-8207-97580e10f04f.jpg "2D Structure of [(1R,14R,16S,20S,22S)-22-hydroxy-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 | 99.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.85% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.83% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.82% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.60% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.58% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.36% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.23% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.41% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.13% | 96.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.69% | 88.48% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.55% | 89.62% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 84.30% | 97.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.78% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.16% | 91.49% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.08% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.63% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.71% | 82.69% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.67% | 94.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.53% | 96.77% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.28% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.71% | 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 | 12312585 |
| LOTUS | LTS0009795 |
| wikiData | Q105208970 |