[(6E,8S,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-5-yl] acetate
| Internal ID | d7ff8b58-aa8a-4878-bfb1-6028221aa16b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(6E,8S,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-5-yl] acetate |
| SMILES (Canonical) | CC(=CCC(C(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=CCC(/C(=C/[C@H](C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O)/C)OC(=O)C)C |
| InChI | InChI=1S/C26H32O6/c1-17(2)6-10-24(31-20(5)27)19(4)15-22(28)14-18(3)12-13-30-23-9-7-21-8-11-26(29)32-25(21)16-23/h6-9,11-12,15-16,22,24,28H,10,13-14H2,1-5H3/b18-12+,19-15+/t22-,24?/m0/s1 |
| InChI Key | GPZNNGDJDDVSLA-JWINZSDRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 5.40 |
| SCHEMBL12362734 |
![2D Structure of [(6E,8S,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6e8s10e-8-hydroxy-2610-trimethyl-12-2-oxochromen-7-yloxydodeca-2610-trien-5-yl-acetate.jpg "2D Structure of [(6E,8S,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-7-yl)oxydodeca-2,6,10-trien-5-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.60% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.40% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.38% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.14% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.71% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.42% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.09% | 90.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.72% | 97.53% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.11% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.85% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.58% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.12% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.83% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.90% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.71% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.69% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.13% | 89.00% |
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.
| Ferula assa-foetida |
| PubChem | 46882953 |
| LOTUS | LTS0162456 |
| wikiData | Q105015268 |