Pumiliotoxin A
| Internal ID | 98482b33-ca0e-436c-9b14-e4ccf52eb6da |
| Taxonomy | Alkaloids and derivatives > Pumiliotoxins, homopumiliotoxins, and allopumiliotoxins |
| IUPAC Name | (6Z,8S,8aS)-6-[(E,2R,6S)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H33NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h9,11,14,17-18,21-22H,5-8,10,12-13H2,1-4H3/b15-9+,16-11-/t14-,17+,18+,19+/m1/s1 |
| InChI Key | CUBVJLHFQCEJGM-SZIIBLSRSA-N |
| Popularity | 15 references in papers |
| Molecular Formula | C19H33NO2 |
| Molecular Weight | 307.50 g/mol |
| Exact Mass | 307.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 2.80 |
| CHEMBL145948 |
| SCHEMBL10726788 |
| DTXSID80897238 |
| C20033 |
| (6Z,8S,8aS)-6-[(E,2R,6S)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.26% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.68% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.61% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.99% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.06% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.77% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.64% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.54% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.63% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.58% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.94% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.49% | 97.47% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.42% | 99.18% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.33% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.25% | 98.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.30% | 95.83% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.98% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.62% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.17% | 100.00% |
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 | 10979740 |
| LOTUS | LTS0216590 |
| wikiData | Q104396334 |