Albicanyl acetate
| Internal ID | 1ee1e743-9edb-438b-be88-0f3c884794d7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(=C)CCC2C1(CCCC2(C)C)C |
| SMILES (Isomeric) | CC(=O)OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C |
| InChI | InChI=1S/C17H28O2/c1-12-7-8-15-16(3,4)9-6-10-17(15,5)14(12)11-19-13(2)18/h14-15H,1,6-11H2,2-5H3/t14-,15-,17+/m0/s1 |
| InChI Key | GQKPZEYFVCLAHT-YQQAZPJKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.70 |
| SCHEMBL15874513 |
| [(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.21% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.24% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.39% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.50% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.97% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.77% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.22% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 82.73% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.48% | 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.
| Bazzania japonica |
| Dryopteris fragrans |
| PubChem | 10491891 |
| LOTUS | LTS0074807 |
| wikiData | Q105015439 |