Trifoliolasine C
| Internal ID | ae3a01f6-e00c-4ec6-adce-88beb878e174 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylpropanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(3R)-4-amino-3-methyl-4-oxobutanoyl]amino]benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H57N3O11/c1-8-43-18-37(19-53-35(47)22-11-9-10-12-25(22)42-28(44)15-21(4)33(41)45)14-13-27(51-6)39-24-16-23-26(50-5)17-38(48,29(24)30(23)54-34(46)20(2)3)40(49,36(39)43)32(52-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,48-49H,8,13-19H2,1-7H3,(H2,41,45)(H,42,44)/t21-,23-,24-,26+,27+,29-,30+,31-,32+,36+,37+,38-,39+,40-/m1/s1 |
| InChI Key | KYEACEVABZECSO-HVGHHXIRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H57N3O11 |
| Molecular Weight | 755.90 g/mol |
| Exact Mass | 755.39930964 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
| 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 | 99.72% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.38% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.07% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.37% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.38% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.31% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.15% | 89.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.74% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.25% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.21% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.12% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.71% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.62% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.55% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.22% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.29% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.78% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.32% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.26% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.24% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.93% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.81% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.86% | 98.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.76% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.50% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.45% | 97.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.07% | 93.04% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.72% | 95.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.54% | 95.93% |
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 trifoliolatum |
| PubChem | 101341022 |
| LOTUS | LTS0153765 |
| wikiData | Q105147675 |