[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (3S)-3-hydroxybutanoate
| Internal ID | 773d5806-3b1f-4c92-aee8-101bfbb07c1b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (3S)-3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OCC=C(C)CCC=C(C)CCC=C1C(C(OC1=O)C=C(C)C)O)O |
| SMILES (Isomeric) | C[C@@H](CC(=O)OC/C=C(/C)\CC/C=C(\C)/CC/C=C/1\[C@@H]([C@H](OC1=O)C=C(C)C)O)O |
| InChI | InChI=1S/C24H36O6/c1-16(2)14-21-23(27)20(24(28)30-21)11-7-10-17(3)8-6-9-18(4)12-13-29-22(26)15-19(5)25/h8,11-12,14,19,21,23,25,27H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12-,20-11+/t19-,21+,23-/m0/s1 |
| InChI Key | DXDOQWITBDCYOY-DGRYIPEESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H36O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (3S)-3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f08f3140-8590-11ee-a95d-7164a73b115d.jpg "2D Structure of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (3S)-3-hydroxybutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.76% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.19% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.18% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.01% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.94% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.58% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.37% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.60% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.10% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.05% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.06% | 97.25% |
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.
| Salix cheilophila |
| PubChem | 162944094 |
| LOTUS | LTS0197996 |
| wikiData | Q104990944 |