Hydroxyl citronellal
| Internal ID | 76f69fef-e408-4961-a80f-8f198e922f52 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | (Z)-8-hydroxy-3,7-dimethyloct-6-enal |
| SMILES (Canonical) | CC(CCC=C(C)CO)CC=O |
| SMILES (Isomeric) | CC(CC/C=C(/C)\CO)CC=O |
| InChI | InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,7,9,12H,3-4,6,8H2,1-2H3/b10-5- |
| InChI Key | UKZUYKZFAACFKI-YHYXMXQVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 g/mol |
| Exact Mass | 170.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.70 |
| 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 | 93.56% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.89% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.14% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.59% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.08% | 93.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.06% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.07% | 90.71% |
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.
| Salvia sclarea |
| PubChem | 129702535 |
| LOTUS | LTS0084926 |
| wikiData | Q105274988 |