Methyl 15-(4-chloro-3-hydroxy-2-methylphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
| Internal ID | 6b660628-26a0-408c-800f-1ebfa1512cea |
| Taxonomy | Benzenoids > Phenols > Cresols > Ortho cresols |
| IUPAC Name | methyl 15-(4-chloro-3-hydroxy-2-methylphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H23ClO3/c1-19-20(17-18-21(24)23(19)26)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(25)27-2/h3-18,26H,1-2H3 |
| InChI Key | UMRDFAWGXONLRR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H23ClO3 |
| Molecular Weight | 382.90 g/mol |
| Exact Mass | 382.1335723 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.96% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.17% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.21% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.95% | 89.34% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.77% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.52% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.24% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 80.06% | 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.
| There are no matching plants. |
| PubChem | 162939474 |
| LOTUS | LTS0131076 |
| wikiData | Q105275670 |