3-Hydroxypropane-1,2-diyl dioctadec-9-enoate
| Internal ID | 99f72ef2-87d9-489e-a9cf-8e0e292c8849 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Diradylglycerols > Diacylglycerols > 1,2-diacylglycerols |
| IUPAC Name | (3-hydroxy-2-octadec-9-enoyloxypropyl) octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
| InChI | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3 |
| InChI Key | AFSHUZFNMVJNKX-UHFFFAOYSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C39H72O5 |
| Molecular Weight | 621.00 g/mol |
| Exact Mass | 620.53797539 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 14.30 |
| CBiol_001892 |
| KBioGR_000013 |
| KBioSS_000013 |
| KBio2_000013 |
| KBio2_002581 |
| KBio2_005149 |
| KBio3_000025 |
| KBio3_000026 |
| DTXSID40860347 |
| Bio1_000178 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.81% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.33% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.25% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.77% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.40% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.48% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.75% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.66% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.36% | 92.50% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.45% | 97.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.31% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.95% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.78% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.25% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.07% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.41% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.21% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.94% | 94.33% |
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.
| Sciadopitys verticillata |
| PubChem | 1324 |
| LOTUS | LTS0173329 |
| wikiData | Q104911547 |