(1R,4E,8E,12E,16R)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol
| Internal ID | f2e391da-0937-4992-a4af-0cee47c4b554 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,4E,8E,12E,16R)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol |
| SMILES (Canonical) | CC(=CCCC=C(C)CCC(C1(CCC(O1)C(C)(C)O)C)O)CCC=C(C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | C/C(=C\CC/C=C(\C)/CC[C@H]([C@]1(CC[C@@H](O1)C(C)(C)O)C)O)/CC/C=C(\C)/CC[C@H](C(C)(C)O)O |
| InChI | InChI=1S/C30H54O5/c1-22(14-11-15-24(3)16-18-25(31)28(4,5)33)12-9-10-13-23(2)17-19-26(32)30(8)21-20-27(35-30)29(6,7)34/h12-13,15,25-27,31-34H,9-11,14,16-21H2,1-8H3/b22-12+,23-13+,24-15+/t25-,26-,27-,30-/m1/s1 |
| InChI Key | TWLPOABITNDBEQ-YOXFBTQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H54O5 |
| Molecular Weight | 494.70 g/mol |
| Exact Mass | 494.39712482 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (1R,4E,8E,12E,16R)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2b4982d0-8645-11ee-89b5-97e383e462b4.jpg "2D Structure of (1R,4E,8E,12E,16R)-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-4,8,12-triene-1,16,17-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.70% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.55% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.52% | 98.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.47% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.46% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.97% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.23% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.92% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.87% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.64% | 92.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.88% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.59% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.26% | 96.77% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.76% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.73% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.53% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.68% | 91.19% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.65% | 92.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.32% | 95.71% |
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.
| Ekebergia capensis |
| PubChem | 162912335 |
| LOTUS | LTS0236321 |
| wikiData | Q105265897 |