11-Ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8,16-tetrol
Internal ID | 313b98e1-9a49-463a-9e30-a1474dc820b2 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
IUPAC Name | 11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8,16-tetrol |
SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)O)O)O)C |
SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)O)O)O)C |
InChI | InChI=1S/C21H33NO4/c1-3-22-9-19(2)5-4-15(24)21-11-6-10-13(23)8-20(26,16(11)17(10)25)12(18(21)22)7-14(19)21/h10-18,23-26H,3-9H2,1-2H3 |
InChI Key | UMENVHXIPMXIRD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H33NO4 |
Molecular Weight | 363.50 g/mol |
Exact Mass | 363.24095853 g/mol |
Topological Polar Surface Area (TPSA) | 84.20 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of 11-Ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8,16-tetrol 2D Structure of 11-Ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8,16-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/11-ethyl-13-methyl-11-azahexacyclo772125011003801317nonadecane-46816-tetrol.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 | 99.48% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.88% | 95.58% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.57% | 90.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.46% | 97.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.60% | 95.93% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 92.66% | 87.16% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.50% | 100.00% |
CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 89.85% | 88.81% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.56% | 82.69% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.83% | 96.38% |
CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 88.63% | 95.42% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.35% | 85.14% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.42% | 90.24% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.13% | 97.50% |
CHEMBL204 | P00734 | Thrombin | 85.85% | 96.01% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.74% | 91.03% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.92% | 94.75% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.79% | 96.61% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.30% | 95.52% |
CHEMBL2581 | P07339 | Cathepsin D | 82.85% | 98.95% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.63% | 96.43% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.40% | 92.94% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.17% | 89.05% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.12% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 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 | 73804010 |
LOTUS | LTS0072693 |
wikiData | Q105275525 |