methyl 2-(4-formyloxy-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetate
Internal ID | b57044e3-9044-4bb1-8f87-36927d81e7eb |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
IUPAC Name | methyl 2-(4-formyloxy-2',4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetate |
SMILES (Canonical) | CC1=CCC2C(C13CCC(O3)(C)CC(=O)OC)(CCCC2(C)OC=O)C |
SMILES (Isomeric) | CC1=CCC2C(C13CCC(O3)(C)CC(=O)OC)(CCCC2(C)OC=O)C |
InChI | InChI=1S/C21H32O5/c1-15-7-8-16-19(3,9-6-10-20(16,4)25-14-22)21(15)12-11-18(2,26-21)13-17(23)24-5/h7,14,16H,6,8-13H2,1-5H3 |
InChI Key | JOEMUKDFVFJYNY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H32O5 |
Molecular Weight | 364.50 g/mol |
Exact Mass | 364.22497412 g/mol |
Topological Polar Surface Area (TPSA) | 61.80 Ų |
XlogP | 3.00 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.47% | 95.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.24% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.99% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.79% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.71% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.39% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.28% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 81.78% | 98.95% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.10% | 95.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.58% | 94.00% |
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.
Grindelia hirsutula |
PubChem | 162999386 |
LOTUS | LTS0204453 |
wikiData | Q105132292 |