2-[4,8-Dimethyl-10-(3-methylbutanoyloxy)cyclodeca-3,7-dien-1-yl]prop-2-enoic acid
| Internal ID | 3a8cff1e-eb84-44b9-8f35-9a34149e144f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | 2-[4,8-dimethyl-10-(3-methylbutanoyloxy)cyclodeca-3,7-dien-1-yl]prop-2-enoic acid |
| SMILES (Canonical) | CC1=CCC(C(CC(=CCC1)C)OC(=O)CC(C)C)C(=C)C(=O)O |
| SMILES (Isomeric) | CC1=CCC(C(CC(=CCC1)C)OC(=O)CC(C)C)C(=C)C(=O)O |
| InChI | InChI=1S/C20H30O4/c1-13(2)11-19(21)24-18-12-15(4)8-6-7-14(3)9-10-17(18)16(5)20(22)23/h8-9,13,17-18H,5-7,10-12H2,1-4H3,(H,22,23) |
| InChI Key | SVNYSSUCIZGDTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 2-[4,8-Dimethyl-10-(3-methylbutanoyloxy)cyclodeca-3,7-dien-1-yl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-48-dimethyl-10-3-methylbutanoyloxycyclodeca-37-dien-1-ylprop-2-enoic-acid.jpg "2D Structure of 2-[4,8-Dimethyl-10-(3-methylbutanoyloxy)cyclodeca-3,7-dien-1-yl]prop-2-enoic acid")
| 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 | 96.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.29% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.54% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.08% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.77% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.09% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.13% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.57% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.50% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.24% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.14% | 99.17% |
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.
To see more specific details click the taxa you are interested in.
| Pegolettia senegalensis |
| PubChem | 163024302 |
| LOTUS | LTS0037781 |
| wikiData | Q105262268 |