3-Methylhenicos-3-ene-1,6-diol
| Internal ID | 5f06843b-a346-4012-ac3c-1752b5424613 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-methylhenicos-3-ene-1,6-diol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(CC=C(C)CCO)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(CC=C(C)CCO)O |
| InChI | InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(24)18-17-21(2)19-20-23/h17,22-24H,3-16,18-20H2,1-2H3 |
| InChI Key | NINNFPRHRLKYNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H44O2 |
| Molecular Weight | 340.60 g/mol |
| Exact Mass | 340.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.49% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.91% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.00% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.56% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.66% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.65% | 87.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.23% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.20% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.03% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.70% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.54% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.50% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.52% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.57% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.07% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.25% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.18% | 89.63% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.84% | 96.00% |
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.
| Stellaria media |
| PubChem | 163192719 |
| LOTUS | LTS0177434 |
| wikiData | Q105179903 |