(-)-ent-12beta-Acetoxylongipin-2(10)-en-3-one
| Internal ID | 62caaec5-fde8-4d66-b031-e0d5d2beb087 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (3,3,7-trimethyl-9-methylidene-10-oxo-4-tricyclo[5.4.0.02,8]undecanyl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC2(C3CC(=O)C(=C)C2C3C1(C)C)C |
| SMILES (Isomeric) | CC(=O)OC1CCC2(C3CC(=O)C(=C)C2C3C1(C)C)C |
| InChI | InChI=1S/C17H24O3/c1-9-12(19)8-11-15-14(9)17(11,5)7-6-13(16(15,3)4)20-10(2)18/h11,13-15H,1,6-8H2,2-5H3 |
| InChI Key | MHRBISREAXPYKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.00 |
| NSC-377114 |
| (-)-ent-12.beta.-Acetoxylongipin-2(10)-en-3-one |
| LONGIPIN-2(10)-EN-3-ONE, (-)-ENT-12-BETA-ACETOXY |
| 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 | 96.76% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.77% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.91% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.81% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.07% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.30% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.08% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.98% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.65% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.25% | 97.50% |
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.
| Marsupella aquatica |
| PubChem | 4555705 |
| LOTUS | LTS0071713 |
| wikiData | Q105164007 |