Roccellic acid
| Internal ID | 2ba1f26b-f8d2-4987-80c0-07ed95e0b408 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (2R,3S)-2-dodecyl-3-methylbutanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1 |
| InChI Key | CADNMISJDLVPCK-LSDHHAIUSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C17H32O4 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.10 |
| 29838-46-8 |
| Succinic acid, 2-dodecyl-3-methyl-, (+)- |
| Rocellic acid |
| AEL38V7F67 |
| (2R,3S)-2-dodecyl-3-methylbutanedioic acid |
| Acide roccellique |
| Succinic acid, 2-dodecyl-3-methyl-, (2R,3S)- |
| UNII-AEL38V7F67 |
| 2-dodecyl-3-methylbutanedioic acid |
| NSC-249985 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.63% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.64% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.57% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.67% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.36% | 83.82% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.64% | 85.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.59% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.96% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.97% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.82% | 93.31% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.61% | 87.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.50% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.16% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.01% | 100.00% |
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 | 11449446 |
| LOTUS | LTS0083307 |
| wikiData | Q27273898 |