18-Hydroxytritriacontan-16-one
| Internal ID | cdeac470-a0de-4c7b-bb70-6a6592848123 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 18-hydroxytritriacontan-16-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(CC(=O)CCCCCCCCCCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(CC(=O)CCCCCCCCCCCCCCC)O |
| InChI | InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,34H,3-31H2,1-2H3 |
| InChI Key | YICMKZPWMNXNFS-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C33H66O2 |
| Molecular Weight | 494.90 g/mol |
| Exact Mass | 494.50628134 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 14.30 |
| 97191-42-9 |
| 18-hydroxy-16-tritriacontanone |
| 16-Tritriacontanone, 18-hydroxy- |
| starbld0028859 |
| DTXSID701306422 |
| AKOS040762964 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.92% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.26% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.85% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.18% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.08% | 92.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.27% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.73% | 92.86% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.05% | 95.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.94% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.23% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.15% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.61% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.85% | 93.31% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.85% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.85% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.57% | 91.11% |
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 globulus |
| PubChem | 86127863 |
| LOTUS | LTS0247482 |
| wikiData | Q105348757 |