5-Chloro-3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
| Internal ID | 644e75ba-d4fa-4128-9c66-451694319cf0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 5-chloro-3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)C)O)C=O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)C)O)C=O |
| InChI | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3 |
| InChI Key | UEUMAXMCCDEOIJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23ClO3 |
| Molecular Weight | 322.80 g/mol |
| Exact Mass | 322.1335723 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.56% | 98.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.51% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.18% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.95% | 89.34% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.88% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.24% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.87% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.94% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.08% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.76% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 134202 |
| LOTUS | LTS0069564 |
| wikiData | Q105271155 |