2-[2-Ethenyl-2-(hydroxymethyl)-5-(3-hydroxyprop-1-en-2-yl)cyclohexyl]prop-2-enyl acetate
| Internal ID | 43ffb4f6-dfd6-4f46-be90-1c1468f47dcc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | 2-[2-ethenyl-2-(hydroxymethyl)-5-(3-hydroxyprop-1-en-2-yl)cyclohexyl]prop-2-enyl acetate |
| SMILES (Canonical) | CC(=O)OCC(=C)C1CC(CCC1(CO)C=C)C(=C)CO |
| SMILES (Isomeric) | CC(=O)OCC(=C)C1CC(CCC1(CO)C=C)C(=C)CO |
| InChI | InChI=1S/C17H26O4/c1-5-17(11-19)7-6-15(12(2)9-18)8-16(17)13(3)10-21-14(4)20/h5,15-16,18-19H,1-3,6-11H2,4H3 |
| InChI Key | MUIQRKVTAUZTQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-[2-Ethenyl-2-(hydroxymethyl)-5-(3-hydroxyprop-1-en-2-yl)cyclohexyl]prop-2-enyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-ethenyl-2-hydroxymethyl-5-3-hydroxyprop-1-en-2-ylcyclohexylprop-2-enyl-acetate.jpg "2D Structure of 2-[2-Ethenyl-2-(hydroxymethyl)-5-(3-hydroxyprop-1-en-2-yl)cyclohexyl]prop-2-enyl 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 | 98.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.38% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.76% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.74% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.61% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.74% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.62% | 91.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.44% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.69% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.40% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.07% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.82% | 89.34% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.42% | 94.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.83% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.10% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.57% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 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.
| Mikania dusenii |
| PubChem | 162992972 |
| LOTUS | LTS0178493 |
| wikiData | Q105172425 |