methyl (1S,5S)-5-chloro-2-[(Z)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate
| Internal ID | 90b9d78b-15b7-4633-9dab-94b727e79034 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | methyl (1S,5S)-5-chloro-2-[(Z)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H10Cl2O4/c1-3-6(11)5-4-7(13)8(12)10(5,15)9(14)16-2/h3-4,8,15H,1-2H3/b6-3-/t8-,10-/m1/s1 |
| InChI Key | AQUWOLOJGKVYPK-VDKVCSQUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H10Cl2O4 |
| Molecular Weight | 265.09 g/mol |
| Exact Mass | 263.9956142 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.00 |
| InChI=1/C10H10Cl2O4/c1-3-6(11)5-4-7(13)8(12)10(5,15)9(14)16-2/h3-4,8,15H,1-2H3/b6-3-/t8-,10-/m1/s |
| methyl (1S,5S)-5-chloro-2-[(Z)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate |
![2D Structure of methyl (1S,5S)-5-chloro-2-[(Z)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-1s5s-5-chloro-2-z-1-chloroprop-1-enyl-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate.jpg "2D Structure of methyl (1S,5S)-5-chloro-2-[(Z)-1-chloroprop-1-enyl]-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylate")
| 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 | 97.20% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.95% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.58% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.53% | 89.34% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.93% | 94.23% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.51% | 97.53% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.27% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.09% | 91.07% |
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 | 11346109 |
| LOTUS | LTS0069166 |
| wikiData | Q104917096 |