(11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate
Internal ID | b7411af6-63db-42fc-aa3e-197b4cd12ef1 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
IUPAC Name | (11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-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(C6CC4(C5C6OC(=O)C)O)OC)O)OC)C |
SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5C6OC(=O)C)O)OC)O)OC)C |
InChI | InChI=1S/C25H39NO6/c1-6-26-12-22(3)8-7-18(31-5)25-17(22)9-15(21(25)26)23(28)11-16(30-4)14-10-24(25,29)20(23)19(14)32-13(2)27/h14-21,28-29H,6-12H2,1-5H3 |
InChI Key | NETXKASDOZAODV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H39NO6 |
Molecular Weight | 449.60 g/mol |
Exact Mass | 449.27773796 g/mol |
Topological Polar Surface Area (TPSA) | 88.50 Ų |
XlogP | 1.10 |
There are no found synonyms. |
![2D Structure of (11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate 2D Structure of (11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b276a220-850e-11ee-9405-b5851c214cf0.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.41% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.31% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.17% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.33% | 94.45% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 89.53% | 95.52% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.23% | 97.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.84% | 96.38% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.85% | 94.33% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.94% | 91.19% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.79% | 92.94% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.61% | 93.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.57% | 91.03% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.46% | 100.00% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.54% | 98.99% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.45% | 92.50% |
CHEMBL2581 | P07339 | Cathepsin D | 84.27% | 98.95% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.19% | 95.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.69% | 97.14% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.50% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.16% | 86.33% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.69% | 89.05% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.51% | 100.00% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.45% | 94.78% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.83% | 93.04% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.77% | 91.24% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.39% | 95.36% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.14% | 96.77% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.87% | 92.62% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.85% | 100.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.73% | 94.42% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.21% | 97.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.15% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.10% | 95.89% |
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 variegatum |
PubChem | 73804013 |
LOTUS | LTS0156787 |
wikiData | Q105178198 |