4-(Hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
| Internal ID | 1e9dbdfa-3462-40ca-9f85-70ded04a9250 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one |
| SMILES (Canonical) | CC(C)CCCC(C1C(COC1=O)CO)O |
| SMILES (Isomeric) | CC(C)CCCC(C1C(COC1=O)CO)O |
| InChI | InChI=1S/C12H22O4/c1-8(2)4-3-5-10(14)11-9(6-13)7-16-12(11)15/h8-11,13-14H,3-7H2,1-2H3 |
| InChI Key | MZARLLPKPUWXEX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.30 g/mol |
| Exact Mass | 230.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.00 |
| 109215-47-6 |
| Virginiamycin butanolide A |
| Compound NP-016938 |
| SCHEMBL17866822 |
| DTXSID10911032 |
| 2-(1'-Hydroxy-5'-methylhexyl)-3-(hydroxymethyl)butanolide |
| AKOS040738556 |
| 2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)- |
| 3-(1-Hydroxy-5-methylhexyl)-4-(hydroxymethyl)dihydrofuran-2(3H)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.07% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.26% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.05% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.94% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.28% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.77% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.70% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.07% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.01% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.53% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.02% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.01% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 131003 |
| LOTUS | LTS0222175 |
| wikiData | Q82881090 |