(3-Acetyl-1,5,5-trimethyl-2-bicyclo[5.1.0]oct-2-enyl)methyl acetate
| Internal ID | d807cd47-658e-487c-a95e-0fa82b9f110f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | (3-acetyl-1,5,5-trimethyl-2-bicyclo[5.1.0]oct-2-enyl)methyl acetate |
| SMILES (Canonical) | CC(=O)C1=C(C2(CC2CC(C1)(C)C)C)COC(=O)C |
| SMILES (Isomeric) | CC(=O)C1=C(C2(CC2CC(C1)(C)C)C)COC(=O)C |
| InChI | InChI=1S/C16H24O3/c1-10(17)13-8-15(3,4)6-12-7-16(12,5)14(13)9-19-11(2)18/h12H,6-9H2,1-5H3 |
| InChI Key | QVZNWDPXVCEFOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O3 |
| Molecular Weight | 264.36 g/mol |
| Exact Mass | 264.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (3-Acetyl-1,5,5-trimethyl-2-bicyclo[5.1.0]oct-2-enyl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-acetyl-155-trimethyl-2-bicyclo510oct-2-enylmethyl-acetate.jpg "2D Structure of (3-Acetyl-1,5,5-trimethyl-2-bicyclo[5.1.0]oct-2-enyl)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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.58% | 97.25% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.24% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.56% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.37% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.40% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.12% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.15% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.45% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.27% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.93% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.35% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.43% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.08% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 162916192 |
| LOTUS | LTS0225185 |
| wikiData | Q105229035 |