3beta-O-palmityl longispinogenin
| Internal ID | bb34b9b8-2b4b-4659-8082-4014c966d686 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CC(C5(C4CC(CC5)(C)C)CO)O)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)C |
| InChI | InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36-,37+,38-,39-,43-,44+,45+,46+/m0/s1 |
| InChI Key | OPGQHWKKODQISN-BVGAXPSFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C46H80O4 |
| Molecular Weight | 697.10 g/mol |
| Exact Mass | 696.60566103 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 14.90 |
| 3beta-O-palmityl longispinogenin |
| 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 | 98.73% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.55% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.23% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.68% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.64% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.04% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.23% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.06% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.01% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.35% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.17% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.47% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.07% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.01% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.54% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.82% | 97.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.62% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.58% | 97.79% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.95% | 92.98% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.65% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.62% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.56% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.59% | 95.50% |
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.
| Arnica lonchophylla |
| PubChem | 14378672 |
| LOTUS | LTS0115057 |
| wikiData | Q105196177 |