5-Hydroxytritriacontane-12,14-dione
| Internal ID | a9d7bf88-3e1d-4ad2-8ed0-6de1d1fe5cd0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 5-hydroxytritriacontane-12,14-dione |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC(CCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC(CCCC)O |
| InChI | InChI=1S/C33H64O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-32(35)30-33(36)29-25-22-21-23-27-31(34)26-6-4-2/h31,34H,3-30H2,1-2H3 |
| InChI Key | MOPOIZPBRYFIFH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H64O3 |
| Molecular Weight | 508.90 g/mol |
| Exact Mass | 508.48554590 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 12.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.85% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.78% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.81% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.54% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.11% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.13% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.81% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.50% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.89% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.80% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.13% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.37% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.31% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.04% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.95% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.96% | 90.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.71% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.39% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.07% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.66% | 93.31% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.00% | 96.00% |
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.
| Andropogon hallii |
| Festuca ovina |
| Panicum virgatum |
| PubChem | 85849085 |
| LOTUS | LTS0021582 |
| wikiData | Q105169061 |