Delcosin
| Internal ID | 2667b55e-ff92-40c8-bee4-0d85ba8bfbc7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (1S,2R,3R,4S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)OC)O)COC |
| SMILES (Isomeric) | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)O)COC |
| InChI | InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12?,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1 |
| InChI Key | BMZNJVXOLCBDPZ-BEHOQNKPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39NO7 |
| Molecular Weight | 453.60 g/mol |
| Exact Mass | 453.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | -1.10 |
| Lucaconine |
| Delcosin |
| Iliensine |
| Takao base I |
| Delcosine |
| 310MTB41FE |
| Takawo bsae I |
| 545-56-2 |
| DELCOSINE [MI] |
| UNII-310MTB41FE |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.87% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.68% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.91% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.82% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.67% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.14% | 96.38% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 92.09% | 95.52% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.37% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.05% | 95.58% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.12% | 91.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.67% | 95.17% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.53% | 98.99% |
| CHEMBL204 | P00734 | Thrombin | 86.47% | 96.01% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.28% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.40% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.19% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.11% | 90.17% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.31% | 95.36% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.25% | 97.21% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.86% | 97.50% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.84% | 92.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.62% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.80% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.62% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
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.
| PubChem | 145925533 |
| LOTUS | LTS0103607 |
| wikiData | Q104375866 |