Acetylvirescenine
| Internal ID | a3e5ba89-1246-44c1-8903-1ef1e2e0d2c0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-11-ethyl-8,9,16-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)O)COC |
| SMILES (Isomeric) | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)O)COC |
| InChI | InChI=1S/C25H39NO7/c1-5-26-11-22(12-31-3)7-6-18(28)25-15-8-14-16(32-4)9-23(29,19(15)20(14)33-13(2)27)24(30,21(25)26)10-17(22)25/h14-21,28-30H,5-12H2,1-4H3/t14-,15-,16+,17-,18+,19-,20+,21-,22+,23-,24-,25-/m1/s1 |
| InChI Key | QAFUNFQLCIKXQS-XKVAZESUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H39NO7 |
| Molecular Weight | 465.60 g/mol |
| Exact Mass | 465.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | -0.10 |
| [(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-11-Ethyl-8,9,16-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| 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 | 99.18% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.35% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 97.19% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.69% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.40% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.04% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.13% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.00% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.61% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.48% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.38% | 94.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.60% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.40% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.04% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.02% | 97.28% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.01% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.65% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.45% | 98.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.19% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.59% | 92.62% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.57% | 95.52% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.00% | 95.36% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.66% | 95.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.50% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.37% | 93.00% |
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.
| Aconitum napellus |
| Delphinium uncinatum |
| PubChem | 100964236 |
| LOTUS | LTS0125242 |
| wikiData | Q105217380 |