4-[2-(Hydroxymethyl)-3-(2-hydroxy-5-methyloxan-4-yl)-2-methylcyclopropyl]butan-2-one
| Internal ID | 30938716-2316-4401-95dd-d75662170862 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 4-[2-(hydroxymethyl)-3-(2-hydroxy-5-methyloxan-4-yl)-2-methylcyclopropyl]butan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O4/c1-9-7-19-13(18)6-11(9)14-12(5-4-10(2)17)15(14,3)8-16/h9,11-14,16,18H,4-8H2,1-3H3 |
| InChI Key | XWGMWDXATZANIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-[2-(Hydroxymethyl)-3-(2-hydroxy-5-methyloxan-4-yl)-2-methylcyclopropyl]butan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-hydroxymethyl-3-2-hydroxy-5-methyloxan-4-yl-2-methylcyclopropylbutan-2-one.jpg "2D Structure of 4-[2-(Hydroxymethyl)-3-(2-hydroxy-5-methyloxan-4-yl)-2-methylcyclopropyl]butan-2-one")
| 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 | 98.95% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.54% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.08% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.81% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.33% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.20% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.13% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.56% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.97% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.93% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.16% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.23% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.90% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.66% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.07% | 92.94% |
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 | 72775854 |
| LOTUS | LTS0080644 |
| wikiData | Q104201397 |