(22-Hydroxy-1,2,6,6,10,16,17,21-octamethyl-18-oxahexacyclo[12.9.0.02,11.05,10.015,21.017,19]tricosan-7-yl) dodecanoate
| Internal ID | f5e14a4a-8d4e-488e-b3ea-0db59d12d2ee |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (22-hydroxy-1,2,6,6,10,16,17,21-octamethyl-18-oxahexacyclo[12.9.0.02,11.05,10.015,21.017,19]tricosan-7-yl) dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C6(C(O6)CC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C6(C(O6)CC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)C)C)C |
| InChI | InChI=1S/C42H72O4/c1-10-11-12-13-14-15-16-17-18-19-35(44)45-33-23-24-38(5)30(37(33,3)4)22-25-40(7)31(38)21-20-29-36-28(2)42(9)34(46-42)27-39(36,6)32(43)26-41(29,40)8/h28-34,36,43H,10-27H2,1-9H3 |
| InChI Key | FSQZSGQQFVAXEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H72O4 |
| Molecular Weight | 641.00 g/mol |
| Exact Mass | 640.54306077 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 12.80 |
| There are no found synonyms. |
![2D Structure of (22-Hydroxy-1,2,6,6,10,16,17,21-octamethyl-18-oxahexacyclo[12.9.0.02,11.05,10.015,21.017,19]tricosan-7-yl) dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1eecd8a0-8685-11ee-9da5-658d601863dd.jpg "2D Structure of (22-Hydroxy-1,2,6,6,10,16,17,21-octamethyl-18-oxahexacyclo[12.9.0.02,11.05,10.015,21.017,19]tricosan-7-yl) dodecanoate")
| 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 | 99.15% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.16% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.55% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.22% | 97.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 94.84% | 92.98% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.22% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.36% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.83% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.76% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.69% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.31% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.90% | 91.11% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 89.85% | 87.16% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.33% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.21% | 96.43% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.71% | 82.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.35% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.12% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.88% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.77% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.71% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.91% | 97.29% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.78% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.61% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.75% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.25% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.16% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.93% | 90.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.35% | 96.25% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 82.21% | 91.83% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.90% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.75% | 94.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.37% | 97.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.08% | 95.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.96% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.64% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.08% | 93.56% |
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 | 163063680 |
| LOTUS | LTS0148359 |
| wikiData | Q105000841 |