7,8,10-Nonacosanetriol
| Internal ID | f26a40fc-6327-4158-ba4f-5f19b4f89a78 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | nonacosane-7,8,10-triol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCC(CC(C(CCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCC(CC(C(CCCCCC)O)O)O |
| InChI | InChI=1S/C29H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)26-29(32)28(31)25-23-8-6-4-2/h27-32H,3-26H2,1-2H3 |
| InChI Key | KEASXSDBZPTTGA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H60O3 |
| Molecular Weight | 456.80 g/mol |
| Exact Mass | 456.45424577 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 11.50 |
| 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 | 96.19% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.52% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.39% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.67% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.39% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.96% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.71% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.15% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.11% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.07% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.06% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.14% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.60% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.83% | 98.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.16% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.78% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.65% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.41% | 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.
| Typha angustifolia |
| PubChem | 129864156 |
| LOTUS | LTS0057612 |
| wikiData | Q105139845 |