[4-[5-(3-Amino-2-methyl-3-oxopropylidene)-2-oxofuran-3-yl]-1-hydroxycyclohexyl]methyl acetate
| Internal ID | 090ccc1d-2a94-463f-8b16-5d0b120e8998 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols |
| IUPAC Name | [4-[5-(3-amino-2-methyl-3-oxopropylidene)-2-oxofuran-3-yl]-1-hydroxycyclohexyl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H23NO6/c1-10(15(18)20)7-13-8-14(16(21)24-13)12-3-5-17(22,6-4-12)9-23-11(2)19/h7-8,10,12,22H,3-6,9H2,1-2H3,(H2,18,20) |
| InChI Key | BMCRLWGEWHAFJC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H23NO6 |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [4-[5-(3-Amino-2-methyl-3-oxopropylidene)-2-oxofuran-3-yl]-1-hydroxycyclohexyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-5-3-amino-2-methyl-3-oxopropylidene-2-oxofuran-3-yl-1-hydroxycyclohexylmethyl-acetate.jpg "2D Structure of [4-[5-(3-Amino-2-methyl-3-oxopropylidene)-2-oxofuran-3-yl]-1-hydroxycyclohexyl]methyl acetate")
| 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 | 99.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.34% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.91% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.95% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.09% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.98% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.07% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.83% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.86% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.70% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.46% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.76% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.64% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.56% | 100.00% |
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 | 163064161 |
| LOTUS | LTS0072708 |
| wikiData | Q103816853 |