(2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide
| Internal ID | 87d3c381-6fc2-4c07-9430-fd17e0d9cc3d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,12,14-20,24-25H,10-11H2,1-6H3,(H2,23,26)/b8-7+,13-9-/t12-,14+,15+,16+,17+,18-,19+,20+,22-/m0/s1 |
| InChI Key | GRVRRAOIXXYICO-PGWQPXQSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H37NO5 |
| Molecular Weight | 395.50 g/mol |
| Exact Mass | 395.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.80 |
| SCHEMBL29884852 |
| BDBM50476063 |
![2D Structure of (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/15742ff0-8670-11ee-ad51-87e6cd5d6501.jpg "2D Structure of (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide")
| 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 | 96.58% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.98% | 94.45% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.37% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.03% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.94% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.80% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.70% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.55% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.06% | 96.61% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.75% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.78% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.29% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.80% | 91.07% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.86% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.82% | 95.58% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.00% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.21% | 97.93% |
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.
| There are no matching plants. |
| PubChem | 44418841 |
| LOTUS | LTS0065965 |
| wikiData | Q105016607 |