(1R,2S,3R,4S,5S)-2,3-epoxy-5-methylcyclohexane-1,4-diol
| Internal ID | 7509f1e3-50d2-48c5-b9f2-07b1d743505b |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,2S,3S,5R,6S)-3-methyl-7-oxabicyclo[4.1.0]heptane-2,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H12O3/c1-3-2-4(8)6-7(10-6)5(3)9/h3-9H,2H2,1H3/t3-,4+,5-,6-,7+/m0/s1 |
| InChI Key | CMZGQDPCPWKPGY-MLKOFDEISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.17 g/mol |
| Exact Mass | 144.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | -0.30 |
| (1R,2S,3S,5R,6S)-3-methyl-7-oxabicyclo[4.1.0]heptane-2,5-diol |
| (1R,2S,3S,5R,6S)-3-methyl-7-oxabicyclo(4.1.0)heptane-2,5-diol |
| RefChem:68343 |
| CHEMBL2419347 |
| CHEBI:221256 |
| 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 | 97.38% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.87% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.28% | 97.09% |
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 | 73349167 |
| LOTUS | LTS0124720 |
| wikiData | Q77569992 |