7-Angeloyl-9-(2,3-dihydroxy propanoyl) retronecine
| Internal ID | 09828890-0bc2-479c-95b9-20a675f747d9 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | [(1R,7S)-7-(2,3-dihydroxypropanoyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H25NO6/c1-3-10(2)15(20)23-13-5-7-17-6-4-11(14(13)17)9-22-16(21)12(19)8-18/h3,11-14,18-19H,4-9H2,1-2H3/b10-3-/t11-,12?,13-,14?/m1/s1 |
| InChI Key | UCZOPSUTRUWZNY-KLPBAQPCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H25NO6 |
| Molecular Weight | 327.37 g/mol |
| Exact Mass | 327.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 96.30 Ų |
| XlogP | 0.60 |
| UCZOPSUTRUWZNY-KLPBAQPCSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.31% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.48% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.41% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.41% | 95.51% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.90% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.59% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.14% | 91.11% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.70% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.21% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.12% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.16% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.66% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.56% | 93.04% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.33% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.17% | 91.03% |
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.
| Alkanna orientalis |
| PubChem | 6429060 |
| LOTUS | LTS0096637 |
| wikiData | Q105270249 |