(2S)-2-[(E,3S,6R)-6-(5,5-dimethyl-4-oxofuran-2-yl)-3-hydroxy-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one
| Internal ID | a16ccb2a-0fe1-4fb1-a382-90e40512668f |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | (2S)-2-[(E,3S,6R)-6-(5,5-dimethyl-4-oxofuran-2-yl)-3-hydroxy-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O5/c1-12-8-15(24-19(23)9-12)10-14(3)16(21)7-6-13(2)17-11-18(22)20(4,5)25-17/h9-11,13,15-16,21H,6-8H2,1-5H3/b14-10+/t13-,15+,16+/m1/s1 |
| InChI Key | MVGBWGQAUHVNGU-QUQBVAGWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(E,3S,6R)-6-(5,5-dimethyl-4-oxofuran-2-yl)-3-hydroxy-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/4e83c7b0-8549-11ee-ba06-69f584506192.jpg "2D Structure of (2S)-2-[(E,3S,6R)-6-(5,5-dimethyl-4-oxofuran-2-yl)-3-hydroxy-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-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 | 96.34% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.49% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.49% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.34% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.96% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.89% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.49% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.99% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.81% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.63% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.81% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.56% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.78% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.59% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.55% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.10% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.05% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.03% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.76% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.47% | 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.
To see more specific details click the taxa you are interested in.
| Aphanamixis polystachya |
| PubChem | 71726328 |
| LOTUS | LTS0080457 |
| wikiData | Q105172986 |