Methyl 1-hydroxy-4-oxocyclohexane-1-carboxylate
Internal ID | 5c5f25c4-55bf-4ba7-9512-537ec483de09 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
IUPAC Name | methyl 1-hydroxy-4-oxocyclohexane-1-carboxylate |
SMILES (Canonical) | COC(=O)C1(CCC(=O)CC1)O |
SMILES (Isomeric) | COC(=O)C1(CCC(=O)CC1)O |
InChI | InChI=1S/C8H12O4/c1-12-7(10)8(11)4-2-6(9)3-5-8/h11H,2-5H2,1H3 |
InChI Key | AFZOVBQXISXEOW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C8H12O4 |
Molecular Weight | 172.18 g/mol |
Exact Mass | 172.07355886 g/mol |
Topological Polar Surface Area (TPSA) | 63.60 Ų |
XlogP | -0.50 |
There are no found synonyms. |
![2D Structure of Methyl 1-hydroxy-4-oxocyclohexane-1-carboxylate 2D Structure of Methyl 1-hydroxy-4-oxocyclohexane-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-1-hydroxy-4-oxocyclohexane-1-carboxylate.jpg)
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 | 95.44% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.17% | 83.82% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.09% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.40% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.16% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.68% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.52% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.65% | 91.19% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.01% | 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.
Packera clevelandii |
PubChem | 53640954 |
LOTUS | LTS0066902 |
wikiData | Q104911660 |