[7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(hydroxymethyl)butanoate
Internal ID | f7dd3fbe-291f-4220-97e6-2a6abfc952ac |
Taxonomy | Alkaloids and derivatives |
IUPAC Name | [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(hydroxymethyl)butanoate |
SMILES (Canonical) | CC(C(CO)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C=C(C)C)O)O |
SMILES (Isomeric) | CC(C(CO)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C=C(C)C)O)O |
InChI | InChI=1S/C18H27NO7/c1-11(2)8-15(22)26-14-5-7-19-6-4-13(16(14)19)9-25-17(23)18(24,10-20)12(3)21/h4,8,12,14,16,20-21,24H,5-7,9-10H2,1-3H3 |
InChI Key | HAAXJCBMHRGDTA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H27NO7 |
Molecular Weight | 369.40 g/mol |
Exact Mass | 369.17875220 g/mol |
Topological Polar Surface Area (TPSA) | 117.00 Ų |
XlogP | -0.40 |
There are no found synonyms. |
![2D Structure of [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(hydroxymethyl)butanoate 2D Structure of [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(hydroxymethyl)butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/75693380-85f5-11ee-b57a-cd8001fefd36.jpg)
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 | 99.15% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.16% | 97.25% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.03% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.89% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.52% | 85.14% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.91% | 83.82% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.40% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.27% | 89.00% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.96% | 94.97% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.81% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.75% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.36% | 95.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.93% | 97.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.48% | 91.11% |
CHEMBL5028 | O14672 | ADAM10 | 80.30% | 97.50% |
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.
Senecio caudatus |
PubChem | 163040690 |
LOTUS | LTS0212479 |
wikiData | Q105024761 |