Deltatsine
| Internal ID | e9cad710-2822-4837-88d3-04a88accf8b2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC |
| InChI | InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3 |
| InChI Key | ZUMVRGDGUZROMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H41NO7 |
| Molecular Weight | 467.60 g/mol |
| Exact Mass | 467.28830265 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | -0.60 |
| 92631-66-8 |
| 11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol |
| DTXSID70919039 |
| 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,14-triol |
| Aconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,14alpha,16beta)- |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.91% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.00% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.75% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.11% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.85% | 85.14% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 93.59% | 95.52% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.61% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.27% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.13% | 96.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.48% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.31% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.15% | 96.95% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.99% | 95.36% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.73% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.93% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.41% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.36% | 92.98% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 83.23% | 92.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.10% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.69% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.31% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.06% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.02% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.80% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.52% | 98.99% |
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.
| Delphinium carduchorum |
| Delphinium grandiflorum |
| Delphinium leroyi |
| Delphinium menziesii |
| Delphinium nuttallianum |
| Delphinium scabriflorum |
| Delphinium tatsienense |
| PubChem | 185185 |
| LOTUS | LTS0194045 |
| wikiData | Q82891430 |