(E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
| Internal ID | b1668c54-cb52-496d-b47b-475637d39311 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (E,6S,10R,13R,14S,18S)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol |
| SMILES (Canonical) | CCC(C)CC=CC(C)C(CCC(C)CCCC(C)CCCC(C)(C)O)O |
| SMILES (Isomeric) | CC[C@H](C)C/C=C/[C@H](C)[C@@H](CC[C@H](C)CCC[C@H](C)CCCC(C)(C)O)O |
| InChI | InChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+/t20-,21-,22+,23-,24+/m0/s1 |
| InChI Key | LVOIAUYYMRCVLX-CDVIFZHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H50O2 |
| Molecular Weight | 382.70 g/mol |
| Exact Mass | 382.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.18% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.95% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.45% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.39% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.93% | 95.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.84% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.02% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.83% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.65% | 87.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.38% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.27% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.69% | 97.64% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.56% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.30% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.44% | 89.34% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.41% | 99.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.09% | 86.33% |
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.
| Lepidium sativum |
| PubChem | 163038984 |
| LOTUS | LTS0097861 |
| wikiData | Q105157951 |