Hentriacontane-14,16-dione
| Internal ID | 92b3cfeb-558f-45e8-aa6d-dda4b47f8465 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds > Beta-diketones |
| IUPAC Name | hentriacontane-14,16-dione |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| InChI Key | LZBJUTTUMRSJBP-UHFFFAOYSA-N |
| Popularity | 23 references in papers |
| Molecular Formula | C31H60O2 |
| Molecular Weight | 464.80 g/mol |
| Exact Mass | 464.45933115 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 13.40 |
| 14,16-Hentriacontanedione |
| 24724-84-3 |
| C08377 |
| hentriacontan-14,16-dione |
| CHEBI:5660 |
| SCHEMBL5516505 |
| DTXSID80331586 |
| LZBJUTTUMRSJBP-UHFFFAOYSA-N |
| LMFA12000006 |
| Q27106856 |
| 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 | 93.66% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.33% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.25% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.13% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.37% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.43% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.36% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.81% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.00% | 94.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.77% | 85.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.47% | 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.
| Eucalyptus pulverulenta |
| Hordeum vulgare |
| Triticum turgidum subsp. durum |
| PubChem | 441489 |
| LOTUS | LTS0087654 |
| wikiData | Q27106856 |