(5,14-Dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl)methyl acetate
| Internal ID | 9a360ab1-5a0e-457c-9547-ce4368e5b1e2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | (5,14-dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl)methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O5/c1-13(23)26-12-22(25)7-6-21-10-15(22)8-14(21)9-16-18-19(2,11-27-16)17(24)4-5-20(18,21)3/h14-15,17,24-25H,4-12H2,1-3H3 |
| InChI Key | SENHZXFMEPETDI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (5,14-Dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0a920030-8614-11ee-a4ef-41efa44987e0.jpg "2D Structure of (5,14-Dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-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 | 97.92% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.64% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.90% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.36% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.90% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.18% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.22% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.25% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.00% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.46% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.81% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.79% | 95.93% |
| CHEMBL5028 | O14672 | ADAM10 | 82.92% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.25% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.18% | 94.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.99% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.52% | 90.17% |
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 | 162814131 |
| LOTUS | LTS0134859 |
| wikiData | Q104197220 |