(2Z,6Z,10S)-7-(hydroxymethyl)-10-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyldeca-2,6-diene-1,10-diol
| Internal ID | c2ea567e-72be-4098-886a-6b835ea99081 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2Z,6Z,10S)-7-(hydroxymethyl)-10-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyldeca-2,6-diene-1,10-diol |
| SMILES (Canonical) | CC(=CCO)CCC=C(CCC(C1(CCC(O1)C(C)(C)O)C)O)CO |
| SMILES (Isomeric) | C/C(=C/CO)/CC/C=C(/CC[C@@H]([C@]1(CC[C@@H](O1)C(C)(C)O)C)O)\CO |
| InChI | InChI=1S/C20H36O5/c1-15(11-13-21)6-5-7-16(14-22)8-9-17(23)20(4)12-10-18(25-20)19(2,3)24/h7,11,17-18,21-24H,5-6,8-10,12-14H2,1-4H3/b15-11-,16-7-/t17-,18+,20+/m0/s1 |
| InChI Key | RXGMJLUUKIBYON-YZKJMGRNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H36O5 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2Z,6Z,10S)-7-(hydroxymethyl)-10-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyldeca-2,6-diene-1,10-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e90d66d0-84c5-11ee-bcc0-09510d9dc149.jpg "2D Structure of (2Z,6Z,10S)-7-(hydroxymethyl)-10-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyldeca-2,6-diene-1,10-diol")
| 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 | 98.47% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.68% | 96.61% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.70% | 98.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.64% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.51% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.90% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.89% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.74% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.71% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.19% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.16% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.39% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.19% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.66% | 92.88% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.00% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.96% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.62% | 93.04% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.35% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.10% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.56% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.44% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.35% | 96.90% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.26% | 92.78% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.18% | 97.47% |
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.
| Liatris elegans |
| PubChem | 163072012 |
| LOTUS | LTS0203325 |
| wikiData | Q105247017 |