methyl (1E,3Z,6R,7R)-6-(3-methoxy-3-oxopropyl)-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylate
| Internal ID | d0025358-fed5-431e-b0b0-e29fedfa66c7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl (1E,3Z,6R,7R)-6-(3-methoxy-3-oxopropyl)-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylate |
| SMILES (Canonical) | CC1CCC(=C)C(=CC=CCC1(C)CCC(=O)OC)C(=O)OC |
| SMILES (Isomeric) | C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCC(=O)OC)/C(=O)OC |
| InChI | InChI=1S/C19H28O4/c1-14-9-10-15(2)19(3,13-11-17(20)22-4)12-7-6-8-16(14)18(21)23-5/h6-8,15H,1,9-13H2,2-5H3/b7-6-,16-8+/t15-,19+/m1/s1 |
| InChI Key | PULUBMYNAQBNMR-BULVOETPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.39% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.14% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.60% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.25% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.73% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.23% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.08% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.35% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.88% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.08% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.85% | 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.
| Grangea maderaspatana |
| PubChem | 162868445 |
| LOTUS | LTS0083057 |
| wikiData | Q105215151 |