(37R)-37-hydroxyhentetracontan-19-one
| Internal ID | 83995292-4b85-4562-badb-9a9ac7b7f9d7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (37R)-37-hydroxyhentetracontan-19-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCC(CCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC[C@@H](CCCC)O |
| InChI | InChI=1S/C41H82O2/c1-3-5-7-8-9-10-11-12-13-15-18-22-25-28-31-34-38-41(43)39-35-32-29-26-23-20-17-14-16-19-21-24-27-30-33-37-40(42)36-6-4-2/h40,42H,3-39H2,1-2H3/t40-/m1/s1 |
| InChI Key | RLIHDGZNQZZBQO-RRHRGVEJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H82O2 |
| Molecular Weight | 607.10 g/mol |
| Exact Mass | 606.63148185 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 18.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.13% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.97% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.44% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.14% | 95.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.01% | 92.08% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.92% | 83.82% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.60% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.66% | 92.86% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.33% | 91.81% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.95% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.42% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.64% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.19% | 97.25% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.23% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.14% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.20% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.85% | 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.
| Justicia adhatoda |
| PubChem | 162848691 |
| LOTUS | LTS0066620 |
| wikiData | Q105240136 |