N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1R)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylacetamide
| Internal ID | 64308ced-107c-4398-b665-6458ef2442de |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1R)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H50N2O/c1-19(30(7)8)21-12-14-27(6)23-11-10-22-25(3,4)24(31(9)20(2)32)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h19,21-24H,10-18H2,1-9H3/t19-,21-,22+,23+,24+,26-,27+,28-,29+/m1/s1 |
| InChI Key | CGIJRUQDEIZDPN-LFUUKBCJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H50N2O |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.392314223 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1R)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/9e2ffce0-85fd-11ee-8724-67cd2b4991fe.jpg "2D Structure of N-[(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1R)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-N-methylacetamide")
| 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 | 95.83% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.72% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 93.59% | 96.01% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.96% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.25% | 97.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.67% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.38% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.08% | 95.69% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.07% | 90.24% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.09% | 94.78% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.85% | 94.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.77% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.70% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.34% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.19% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.12% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.94% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.34% | 92.86% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.12% | 100.00% |
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 | 163055628 |
| LOTUS | LTS0051512 |
| wikiData | Q104957716 |