5-Chloro-2,4-dihydroxy-3-(7-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl)-6-methylbenzoic acid
| Internal ID | 3a179cbf-c7d9-4092-8388-109fb23b7213 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-chloro-2,4-dihydroxy-3-(7-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl)-6-methylbenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33ClO5/c1-14(2)8-6-12-23(5,29)13-7-9-15(3)10-11-17-20(25)18(22(27)28)16(4)19(24)21(17)26/h8,10,25-26,29H,6-7,9,11-13H2,1-5H3,(H,27,28) |
| InChI Key | UPKGCCJDPUMZAM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H33ClO5 |
| Molecular Weight | 425.00 g/mol |
| Exact Mass | 424.2016518 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 6.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.03% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.31% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.14% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.85% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.87% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.42% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.13% | 96.90% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.05% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.44% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.92% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.67% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.26% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.13% | 86.33% |
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 | 162869161 |
| LOTUS | LTS0132208 |
| wikiData | Q104198607 |