Decompositin
| Internal ID | 5c8950a9-29ae-49c4-9449-d4aa5bd1ade8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) acetate |
| SMILES (Canonical) | CC1CCC=C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C)C |
| SMILES (Isomeric) | CC1CCC=C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C)C |
| InChI | InChI=1S/C17H20O4/c1-9-8-20-15-13(9)16(21-11(3)18)17(4)10(2)6-5-7-12(17)14(15)19/h7-8,10,16H,5-6H2,1-4H3 |
| InChI Key | FAZNZOQAEBFDJI-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.34 g/mol |
| Exact Mass | 288.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 56.50 Ų |
| XlogP | 3.50 |
| Decompositin |
| FAZNZOQAEBFDJI-UHFFFAOYSA-N |
| 3,4a,5-Trimethyl-9-oxo-4,4a,5,6,7,9-hexahydronaphtho[2,3-b]furan-4-yl acetate # |
| Eremophila-1(10),7,11-trien-9-one, 8,12-epoxy-6.beta.-hydroxy-, acetate |
| Naphtho[2,3-b]furan-9(4H)-one, 4-(acetyloxy)-4a,5,6,7-tetrahydro-3,4a,5-trimethyl-, [4S-(4.alpha.,4a.alpha.,5.alpha.)]- |
| 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 | 95.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.73% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.18% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.19% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.11% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.93% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.19% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.64% | 92.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.91% | 93.04% |
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.
| Senecio candicans |
| Senecio collinus |
| PubChem | 615079 |
| LOTUS | LTS0203105 |
| wikiData | Q104992513 |