5,11-Dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
| Internal ID | 3b3e600d-fea9-446a-9250-836ff1747816 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 5,11-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one |
| SMILES (Canonical) | CC1CC(C=C(C(C=CC(CCC(=O)OC1C)(C)O)OC)C)O |
| SMILES (Isomeric) | CC1CC(C=C(C(C=CC(CCC(=O)OC1C)(C)O)OC)C)O |
| InChI | InChI=1S/C18H30O5/c1-12-10-15(19)11-13(2)16(22-5)6-8-18(4,21)9-7-17(20)23-14(12)3/h6,8,11-12,14-16,19,21H,7,9-10H2,1-5H3 |
| InChI Key | OQBWAWZWLOIZFL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O5 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.82% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.76% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.69% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.46% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.97% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.72% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.51% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.98% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.62% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.14% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.63% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.37% | 96.43% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.24% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.56% | 95.89% |
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.
| Datura ferox |
| Datura metel |
| Datura stramonium |
| Withania somnifera |
| PubChem | 74191769 |
| LOTUS | LTS0264296 |
| wikiData | Q105386525 |