4-Hydroxy-25-oxohentriacontane-14,16-dione
| Internal ID | 006a7ad0-c466-4c27-8c36-12b284073d6e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 28-hydroxyhentriacontane-7,16,18-trione |
| SMILES (Canonical) | CCCCCCC(=O)CCCCCCCCC(=O)CC(=O)CCCCCCCCCC(CCC)O |
| SMILES (Isomeric) | CCCCCCC(=O)CCCCCCCCC(=O)CC(=O)CCCCCCCCCC(CCC)O |
| InChI | InChI=1S/C31H58O4/c1-3-5-6-16-23-29(33)24-18-13-10-11-15-20-26-31(35)27-30(34)25-19-14-9-7-8-12-17-22-28(32)21-4-2/h28,32H,3-27H2,1-2H3 |
| InChI Key | KAXYOHHRDIOHRY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H58O4 |
| Molecular Weight | 494.80 g/mol |
| Exact Mass | 494.43351033 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 9.10 |
| 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 | 98.64% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.00% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.87% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.59% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.88% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.24% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.81% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.56% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.12% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.50% | 85.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.08% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.95% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.67% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.50% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.78% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.66% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.19% | 91.81% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.04% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.96% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.07% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.34% | 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.
| Hymenoxys robusta |
| Thinopyrum elongatum |
| PubChem | 71323761 |
| LOTUS | LTS0120871 |
| wikiData | Q104986060 |