Vibratilicin
| Internal ID | ab9d415e-8e9e-4f95-9db7-9da1d2c1c94b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | [3-[3-(dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-hexadecanoyloxypropyl] (9E,12E)-octadeca-9,12-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H80N2O7/c1-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-41(46)51-38-39(37-50-36-35-40(45(3)4)43(48)44-49)52-42(47)34-32-30-28-26-24-21-18-16-14-12-10-8-6-2/h13,15,19-20,39-40,49H,5-12,14,16-18,21-38H2,1-4H3,(H,44,48)/b15-13+,20-19+ |
| InChI Key | CUINQBJIQAFSBY-MEZVWXLJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H80N2O7 |
| Molecular Weight | 737.10 g/mol |
| Exact Mass | 736.59655290 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 13.30 |
| [3-[3-(dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-hexadecanoyloxypropyl] (9E,12E)-octadeca-9,12-dienoate |
| (3-(3-(dimethylamino)-4-(hydroxyamino)-4-oxobutoxy)-2-hexadecanoyloxypropyl) (9E,12E)-octadeca-9,12-dienoate |
| RefChem:194185 |
| CHEBI:211379 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.35% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.84% | 85.94% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 93.04% | 92.12% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.82% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.33% | 97.29% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.43% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.96% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.17% | 93.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 88.18% | 97.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.10% | 94.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.84% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.76% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.55% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.52% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.68% | 89.67% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.47% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.36% | 92.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.66% | 94.66% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 83.71% | 97.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.01% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.75% | 96.00% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 82.67% | 90.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.61% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.17% | 87.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.43% | 96.90% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.25% | 94.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139585850 |
| LOTUS | LTS0129432 |
| wikiData | Q77493205 |