17-Acetoxygrindelic acid
| Internal ID | f53c7227-f4fe-4905-b52a-f781d8515d75 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[7-(acetyloxymethyl)-2',4,4,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid |
| SMILES (Canonical) | CC(=O)OCC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)C |
| SMILES (Isomeric) | CC(=O)OCC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)C |
| InChI | InChI=1S/C22H34O5/c1-15(23)26-14-16-7-8-17-19(2,3)9-6-10-21(17,5)22(16)12-11-20(4,27-22)13-18(24)25/h7,17H,6,8-14H2,1-5H3,(H,24,25) |
| InChI Key | CUIYYSCXUREZKH-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.40 |
| MEGxp0_001605 |
| ACon0_000404 |
| AKOS040739220 |
| NCGC00385541-01 |
| 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 | 97.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.47% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.88% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.96% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.25% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.71% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.91% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.44% | 94.73% |
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.
| Chrysoma pauciflosculosa |
| Ericameria laricifolia |
| Ericameria paniculata |
| Grindelia hirsutula |
| Grindelia squarrosa |
| Isocoma tenuisecta |
| PubChem | 24066832 |
| LOTUS | LTS0117214 |
| wikiData | Q104253412 |