10-(Acetyloxymethyl)-16-hydroxy-14-(hydroxymethyl)-3,6-dimethyl-2-methylidenehexadeca-6,10,14-trienoic acid
| Internal ID | edf4400f-7e9d-4eb5-8740-efe1c8f49cf2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | 10-(acetyloxymethyl)-16-hydroxy-14-(hydroxymethyl)-3,6-dimethyl-2-methylidenehexadeca-6,10,14-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H36O6/c1-17(11-12-18(2)19(3)23(27)28)7-5-9-22(16-29-20(4)26)10-6-8-21(15-25)13-14-24/h7,10,13,18,24-25H,3,5-6,8-9,11-12,14-16H2,1-2,4H3,(H,27,28) |
| InChI Key | PIUYIJJDDFMMLN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.59% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.22% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.06% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.95% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.37% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.82% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.60% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.58% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.00% | 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.
| Helogyne apaloidea |
| PubChem | 163017673 |
| LOTUS | LTS0077346 |
| wikiData | Q105209737 |