14-Ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane
| Internal ID | 7efe26ed-fd6f-4961-b0ed-e92bff24bc4e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC |
| InChI | InChI=1S/C27H43NO7/c1-7-28-12-24(13-29-2)9-8-18(31-4)26-16-10-15-17(30-3)11-25(19(16)20(15)32-5)27(23(26)28,35-14-34-25)22(33-6)21(24)26/h15-23H,7-14H2,1-6H3 |
| InChI Key | ZXIRRKBJKCADDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO7 |
| Molecular Weight | 493.60 g/mol |
| Exact Mass | 493.30395271 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 14-Ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane](https://plantaedb.com/storage/docs/compounds/2023/11/e6615a60-8655-11ee-a8ad-21ef04989ec8.jpg "2D Structure of 14-Ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane")
| 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 | 99.30% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.92% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.20% | 97.09% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 92.05% | 88.42% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.38% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.02% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.52% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.52% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 88.30% | 96.01% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.80% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.27% | 97.28% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.24% | 95.58% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.59% | 97.14% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 86.15% | 91.96% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.97% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.87% | 90.17% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.94% | 95.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.97% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.46% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.93% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.91% | 95.38% |
| CHEMBL5319 | Q08345 | Epithelial discoidin domain-containing receptor 1 | 82.80% | 90.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.59% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.43% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.41% | 93.04% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.12% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.94% | 82.38% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 80.91% | 90.75% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 80.78% | 92.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.40% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.36% | 95.50% |
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.
| Delphinium brunonianum |
| Delphinium uncinatum |
| PubChem | 14059164 |
| LOTUS | LTS0136186 |
| wikiData | Q105385551 |