(11-Ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate
| Internal ID | 655b2651-fb33-4149-a5e6-5073fe9dee69 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H52N2O10/c1-7-39-18-34(19-49-32(42)22-10-8-9-11-24(22)38-31(41)20(2)16-26(40)46-4)14-13-25(45-3)36-23-17-21-12-15-35(43,27(23)28(21)47-5)37(44,33(36)39)30(48-6)29(34)36/h8-11,20-21,23,25,27-30,33,43-44H,7,12-19H2,1-6H3,(H,38,41) |
| InChI Key | HFUPYKXHLCKZRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H52N2O10 |
| Molecular Weight | 684.80 g/mol |
| Exact Mass | 684.36219586 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (11-Ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c85bd3e0-8632-11ee-afe6-e34baa47f9c2.jpg "2D Structure of (11-Ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate")
| 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 | 99.18% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.88% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.65% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.14% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.21% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.12% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.47% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.12% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.84% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.83% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.26% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.15% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.72% | 98.95% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.72% | 92.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.07% | 89.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.68% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.68% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.39% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.26% | 91.07% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.99% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.87% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.15% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.70% | 96.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.52% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.26% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.47% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.44% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.22% | 86.33% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.22% | 88.42% |
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 cuneatum |
| PubChem | 162964269 |
| LOTUS | LTS0110926 |
| wikiData | Q105027553 |