Cajucarinolide
| Internal ID | 1f7f2a20-94a5-4edc-8304-e81c1a8b8284 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 5'-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione |
| SMILES (Canonical) | CC1CCC2C(C13CC(OC3=O)C4=CC(OC4=O)O)CC(=O)C=C2C |
| SMILES (Isomeric) | CC1CCC2C(C13CC(OC3=O)C4=CC(OC4=O)O)CC(=O)C=C2C |
| InChI | InChI=1S/C19H22O6/c1-9-5-11(20)6-14-12(9)4-3-10(2)19(14)8-15(24-18(19)23)13-7-16(21)25-17(13)22/h5,7,10,12,14-16,21H,3-4,6,8H2,1-2H3 |
| InChI Key | KDHLKFOOPWLPCD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 1.20 |
| 147742-03-8 |
| Spiro(furan-3(2H),1'(7'H)-naphthalene)-2,7'-dione, 5-(2,5-dihydro-5-hydroxy-2-oxo-3-furanyl)-2',3',4,4',4'a,5,8',8'a-octahydro-2',5'-dimethyl- |
| DTXSID20933205 |
| AKOS040745643 |
| 5'-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione |
| 5'-(5-Hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydro-7H-spiro[naphthalene-1,3'-oxolane]-2',7-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.38% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.28% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.18% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.29% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.38% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.63% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.77% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.30% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.78% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.97% | 97.79% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.37% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 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.
| Croton cajucara |
| Croton glabellus |
| PubChem | 3035811 |
| LOTUS | LTS0187890 |
| wikiData | Q82909007 |