[(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,8,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl] acetate
| Internal ID | ea632cb1-3b7e-41b0-8f9d-5fb0118402c9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,8,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H37NO6/c1-5-25-10-22(3)7-6-15(27)24-13-8-12-14(30-4)9-23(29,16(13)18(12)28)17(21(24)25)19(20(22)24)31-11(2)26/h12-21,27-29H,5-10H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1 |
| InChI Key | GXTJODKPOCPQKO-YXQJRNGSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H37NO6 |
| Molecular Weight | 435.60 g/mol |
| Exact Mass | 435.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,8,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/283f0f40-853d-11ee-a72c-0f0896c56911.jpg "2D Structure of [(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,8,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl] acetate")
| 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 | 99.74% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.03% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 97.82% | 95.58% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.43% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.29% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 95.61% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.56% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.31% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.55% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.25% | 94.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.10% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.60% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.48% | 98.95% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 88.72% | 98.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.17% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.22% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.89% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.11% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.94% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.47% | 97.28% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.83% | 95.36% |
| CHEMBL2835 | P23458 | Tyrosine-protein kinase JAK1 | 84.77% | 98.79% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.14% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.03% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.92% | 95.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.48% | 98.10% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.45% | 93.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.14% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.51% | 83.82% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.61% | 82.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.59% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.47% | 86.33% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.19% | 95.52% |
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 bicolor |
| PubChem | 162847005 |
| LOTUS | LTS0219573 |
| wikiData | Q105023392 |