N,N-dimethyl-1-(6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanamine
| Internal ID | 711dfdf2-e04c-4bdd-91c1-13e02dc54350 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | N,N-dimethyl-1-(6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanamine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H48N2O/c1-19(30(6)7)23-14-16-29(5)25-11-10-24-21(17-22(25)13-15-28(23,29)4)9-12-26-27(24,3)18-32-20(2)31(26)8/h13,17,19-20,23-26H,9-12,14-16,18H2,1-8H3 |
| InChI Key | DJDRIWQODSGIRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48N2O |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.376664159 g/mol |
| Topological Polar Surface Area (TPSA) | 15.70 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of N,N-dimethyl-1-(6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/7ed9ddd0-86a2-11ee-8a50-85f0520db286.jpg "2D Structure of N,N-dimethyl-1-(6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl)ethanamine")
| 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 | 97.84% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.32% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.75% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 91.72% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.73% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.84% | 94.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.84% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.53% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.95% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.15% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.89% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.37% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.07% | 97.14% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.29% | 95.34% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.91% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.75% | 90.08% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.49% | 91.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.79% | 89.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.79% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.17% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.70% | 97.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.68% | 98.46% |
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.
| Buxus sempervirens |
| PubChem | 162882311 |
| LOTUS | LTS0154959 |
| wikiData | Q104888545 |