4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
| Internal ID | 4010e16b-db90-4576-b80c-4a50b5ddafc8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 5-(hydroxymethyl)-5-[(E)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one |
| SMILES (Canonical) | CC(C)C(CCC(=O)C)C=CC1(CCC(=O)O1)CO |
| SMILES (Isomeric) | CC(C)C(CCC(=O)C)/C=C/C1(CCC(=O)O1)CO |
| InChI | InChI=1S/C15H24O4/c1-11(2)13(5-4-12(3)17)6-8-15(10-16)9-7-14(18)19-15/h6,8,11,13,16H,4-5,7,9-10H2,1-3H3/b8-6+ |
| InChI Key | KIKKXDGMUYGHQT-SOFGYWHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/45-dihydro-5-hydroxymethyl-5-1e-3-1-methylethyl-6-oxohept-1-en-1-ylfuran-23h-one.jpg "2D Structure of 4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.59% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.19% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.39% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.65% | 98.75% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.56% | 80.00% |
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 | 76285491 |
| LOTUS | LTS0084704 |
| wikiData | Q105141565 |