5-Methyl-8-propan-2-yl-9,11-dioxatricyclo[6.4.2.04,14]tetradec-1(13)-en-10-one
| Internal ID | 4b405b51-8a12-4550-a496-9073a5d2e8f0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-methyl-8-propan-2-yl-9,11-dioxatricyclo[6.4.2.04,14]tetradec-1(13)-en-10-one |
| SMILES (Canonical) | CC1CCC2(C3C1CCC(=C3)COC(=O)O2)C(C)C |
| SMILES (Isomeric) | CC1CCC2(C3C1CCC(=C3)COC(=O)O2)C(C)C |
| InChI | InChI=1S/C16H24O3/c1-10(2)16-7-6-11(3)13-5-4-12(8-14(13)16)9-18-15(17)19-16/h8,10-11,13-14H,4-7,9H2,1-3H3 |
| InChI Key | QYBYAPRLUIGWLI-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) | 35.50 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 5-Methyl-8-propan-2-yl-9,11-dioxatricyclo[6.4.2.04,14]tetradec-1(13)-en-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-8-propan-2-yl-911-dioxatricyclo6420414tetradec-113-en-10-one.jpg "2D Structure of 5-Methyl-8-propan-2-yl-9,11-dioxatricyclo[6.4.2.04,14]tetradec-1(13)-en-10-one")
| 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 | 92.99% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.41% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.66% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.50% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.19% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.43% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.70% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.28% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.79% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.71% | 90.08% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.05% | 93.67% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.16% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.44% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.43% | 93.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.30% | 99.18% |
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.
| Fabiana imbricata |
| PubChem | 162982823 |
| LOTUS | LTS0230750 |
| wikiData | Q105230014 |