Methyl 10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate
| Internal ID | a919243f-f594-4fd6-a7cd-6efdd3fad445 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate |
| SMILES (Canonical) | CC(=CCCC(=CC(=O)OC)C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCCC(=CC(=O)OC)C)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C16H28O4/c1-12(9-10-14(17)16(3,4)19)7-6-8-13(2)11-15(18)20-5/h7,11,14,17,19H,6,8-10H2,1-5H3 |
| InChI Key | MBJDYYPZJXVUHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28O4 |
| Molecular Weight | 284.39 g/mol |
| Exact Mass | 284.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.00 |
| 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 | 94.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.18% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.16% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.34% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.76% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.39% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.81% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.81% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.74% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.86% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.45% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.40% | 92.88% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.31% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.42% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.07% | 96.47% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.20% | 92.51% |
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.
| Cleistopholis glauca |
| Cleistopholis patens |
| Cleistopholis staudtii |
| Lettowianthus stellatus |
| PubChem | 390644 |
| LOTUS | LTS0132290 |
| wikiData | Q105160801 |