(37S)-37-hydroxyhexatetracont-1-en-15-one
| Internal ID | 573d7500-05a6-41ed-9093-85f01b97885d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (37S)-37-hydroxyhexatetracont-1-en-15-one |
| SMILES (Canonical) | CCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC=C)O |
| SMILES (Isomeric) | CCCCCCCCC[C@@H](CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC=C)O |
| InChI | InChI=1S/C46H90O2/c1-3-5-7-9-11-12-13-23-26-30-34-39-43-46(48)44-40-36-32-28-25-22-20-18-16-14-15-17-19-21-24-27-31-35-38-42-45(47)41-37-33-29-10-8-6-4-2/h3,45,47H,1,4-44H2,2H3/t45-/m0/s1 |
| InChI Key | SGWXLPQZOXAMIT-GWHBCOKCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C46H90O2 |
| Molecular Weight | 675.20 g/mol |
| Exact Mass | 674.69408211 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 20.30 |
| 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 | 96.57% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.39% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.30% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.34% | 97.29% |
| CHEMBL240 | Q12809 | HERG | 94.94% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.81% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.89% | 92.08% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.25% | 95.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.66% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.79% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.71% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.28% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.32% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.77% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.68% | 91.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.56% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.35% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.22% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.39% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.26% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.01% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.93% | 96.95% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 81.91% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.57% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.16% | 94.33% |
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 | 163006727 |
| LOTUS | LTS0155048 |
| wikiData | Q105252685 |