[(1R,14S,16R,20S,22S)-22-acetyloxy-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 | 5d9363a9-e21c-47a8-b578-a7d5b0b6dbf5 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | [(1R,14S,16R,20S,22S)-22-acetyloxy-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) | CC(=O)OC1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)C4CC(CC5N4C(C1)CCC5)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)O[C@H]1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)[C@H]4C[C@H](C[C@H]5N4[C@@H](C1)CCC5)OC(=O)C)OC |
| InChI | InChI=1S/C31H39NO6/c1-19(33)37-25-11-8-21-9-12-30(35-3)27(14-21)28-15-22(10-13-31(28)36-4)29-18-26(38-20(2)34)17-24-7-5-6-23(16-25)32(24)29/h9-10,12-15,23-26,29H,5-8,11,16-18H2,1-4H3/t23-,24+,25+,26+,29-/m1/s1 |
| InChI Key | JEJLGHMYBHWNKG-BNUSXPRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H39NO6 |
| Molecular Weight | 521.60 g/mol |
| Exact Mass | 521.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [(1R,14S,16R,20S,22S)-22-acetyloxy-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/2023/11/059259e0-86d9-11ee-9451-0365d177980d.jpg "2D Structure of [(1R,14S,16R,20S,22S)-22-acetyloxy-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 | 99.01% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.17% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.66% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.70% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.82% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.93% | 85.14% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.71% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.58% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.30% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.01% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.20% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.93% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.58% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.46% | 96.95% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 83.10% | 94.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.85% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.69% | 89.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.96% | 96.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.65% | 97.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.28% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 162894734 |
| LOTUS | LTS0202269 |
| wikiData | Q105126122 |