2,3-Dihydroxydodecane-4,7-dione
| Internal ID | c72ebd91-e1dd-474d-bc45-11ecdfeab73d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 2,3-dihydroxydodecane-4,7-dione |
| SMILES (Canonical) | CCCCCC(=O)CCC(=O)C(C(C)O)O |
| SMILES (Isomeric) | CCCCCC(=O)CCC(=O)C(C(C)O)O |
| InChI | InChI=1S/C12H22O4/c1-3-4-5-6-10(14)7-8-11(15)12(16)9(2)13/h9,12-13,16H,3-8H2,1-2H3 |
| InChI Key | DABGRVPOVJVANL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.30 g/mol |
| Exact Mass | 230.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 0.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.55% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.74% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.65% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.52% | 85.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.17% | 83.82% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.72% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.43% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.71% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.45% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.13% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.98% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.87% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.67% | 93.31% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.30% | 92.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.86% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.46% | 92.86% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.01% | 82.50% |
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.
| There are no matching plants. |
| PubChem | 57461625 |
| LOTUS | LTS0056596 |
| wikiData | Q77573043 |