Dihydroartemisinin impurity F
| Internal ID | a4067576-e730-495c-a97b-77138a23be87 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | (2R)-2-[(1S,3S,4R)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propanoic acid |
| SMILES (Canonical) | CC1CCC(C(=O)C1CCC(=O)C)C(C)C(=O)O |
| SMILES (Isomeric) | C[C@@H]1CC[C@H](C(=O)[C@H]1CCC(=O)C)[C@@H](C)C(=O)O |
| InChI | InChI=1S/C14H22O4/c1-8-4-6-12(10(3)14(17)18)13(16)11(8)7-5-9(2)15/h8,10-12H,4-7H2,1-3H3,(H,17,18)/t8-,10-,11+,12+/m1/s1 |
| InChI Key | SRIAUFRKRAJBGZ-YJQGPUDQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22O4 |
| Molecular Weight | 254.32 g/mol |
| Exact Mass | 254.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.50 |
| 173427-03-7 |
| 98Z8M20H81 |
| UNII-98Z8M20H81 |
| 2-((4R)-4-Methyl-2-oxo-3-(3-oxobutyl)cyclohexyl)propionic acid |
| (2R)-2-[(1S,3S,4R)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propanoic acid |
| (alphaR,1S,3S,4R)-alpha,4-Dimethyl-2-oxo-3-(3-oxobutyl)-cyclohexaneacetic Acid |
| alpha,4-Dimethyl-2-oxo-3-(3-oxobutyl)cyclohexaneacetic acid, (alphaR,1S,3S,4R)- |
| Cyclohexaneacetic acid, alpha,4-dimethyl-2-oxo-3-(3-oxobutyl)-, (alphaR,1S,3S,4R)- |
| Cyclohexaneacetic acid, alpha,4-dimethyl-2-oxo-3-(3-oxobutyl)-, (1S-(1alpha(S*),3alpha,4beta))- |
| Q27272149 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.86% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.11% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.15% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.56% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.83% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.29% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.63% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.92% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.84% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.56% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.42% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.41% | 92.50% |
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.
| Artemisia annua |
| PubChem | 21575634 |
| LOTUS | LTS0236993 |
| wikiData | Q27272149 |