[5-(6,10-Dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl)-5-oxopentan-2-yl] acetate
| Internal ID | c5baf4f7-d12f-479c-9162-da8078a23049 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [5-(6,10-dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl)-5-oxopentan-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O4/c1-13-7-10-19(23)14(2)6-9-18-17(13)12-21(18,5)20(24)11-8-15(3)25-16(4)22/h14-15,17-18H,1,6-12H2,2-5H3 |
| InChI Key | YFANHSXVYPZBKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [5-(6,10-Dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl)-5-oxopentan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5-610-dimethyl-2-methylidene-5-oxo-10-bicyclo720undecanyl-5-oxopentan-2-yl-acetate.jpg "2D Structure of [5-(6,10-Dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl)-5-oxopentan-2-yl] 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 | 97.81% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.62% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.76% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 93.93% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.15% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.19% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.12% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.30% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.95% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.83% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.11% | 96.47% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.01% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.01% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.49% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74430031 |
| LOTUS | LTS0037445 |
| wikiData | Q105347468 |