rel-(6R,8S)-6,8-Hentriacontanediol
| Internal ID | 176ae9b9-7868-4646-9665-2d1e93e9fc4d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (6R,8S)-hentriacontane-6,8-diol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@@H](CCCCC)O)O |
| InChI | InChI=1S/C31H64O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(33)29-30(32)27-25-6-4-2/h30-33H,3-29H2,1-2H3/t30-,31+/m1/s1 |
| InChI Key | QNOXEINYPHZJBN-JSOSNVBQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H64O2 |
| Molecular Weight | 468.80 g/mol |
| Exact Mass | 468.49063128 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 13.80 |
| DTXSID001296214 |
| 155800-88-7 |
| 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 | 95.97% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.57% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.15% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.35% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.27% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.84% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.74% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.65% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.11% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.51% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.29% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.21% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.51% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 85.29% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.11% | 95.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.06% | 98.35% |
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.
| Carthamus tinctorius |
| PubChem | 10073357 |
| LOTUS | LTS0109963 |
| wikiData | Q105224590 |