11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-3,4,7,16-tetrol
| Internal ID | 4f236ff0-763e-4cc1-bdbd-23de500f6929 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids > Napelline-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-3,4,7,16-tetrol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C56C4C(C(C(C5)C(=C)C6O)O)O)O)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C56C4C(C(C(C5)C(=C)C6O)O)O)O)C |
| InChI | InChI=1S/C22H33NO4/c1-4-23-9-20(3)6-5-14(24)22-13(20)7-12(18(22)23)21-8-11(10(2)19(21)27)15(25)16(26)17(21)22/h11-19,24-27H,2,4-9H2,1,3H3 |
| InChI Key | QQKAAJSZSAWUBV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO4 |
| Molecular Weight | 375.50 g/mol |
| Exact Mass | 375.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 84.20 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-3,4,7,16-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/e99eed00-85bb-11ee-b303-c189d609140d.jpg "2D Structure of 11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-3,4,7,16-tetrol")
| 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 | 98.12% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.02% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.00% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.96% | 97.09% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 94.87% | 87.16% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.81% | 95.58% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.60% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.12% | 100.00% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 89.65% | 95.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.16% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.99% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.53% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.21% | 96.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.81% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.53% | 97.79% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.01% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.50% | 88.81% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.92% | 94.75% |
| CHEMBL240 | Q12809 | HERG | 80.55% | 89.76% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.54% | 97.50% |
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.
| Aconitum turczaninowii |
| PubChem | 73813843 |
| LOTUS | LTS0074392 |
| wikiData | Q105225879 |