6-(1,2,3-Trihydroxyheptyl)-5,6-dihydro-2H-pyran-2-one
| Internal ID | 1127c6a0-884a-4b34-986d-ed6255cd840b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 2-(1,2,3-trihydroxyheptyl)-2,3-dihydropyran-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H20O5/c1-2-3-5-8(13)11(15)12(16)9-6-4-7-10(14)17-9/h4,7-9,11-13,15-16H,2-3,5-6H2,1H3 |
| InChI Key | VNWNEIVQZJXANY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H20O5 |
| Molecular Weight | 244.28 g/mol |
| Exact Mass | 244.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 0.70 |
| 6-(1,2,3-Trihydroxyheptyl)-5,6-dihydro-2H-pyran-2-one |
| DTXSID90552447 |
| 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 | 93.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.28% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.69% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.98% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.50% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.23% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.50% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.99% | 89.63% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 83.14% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.48% | 94.73% |
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.
| Syncolostemon densiflorus |
| PubChem | 13915590 |
| LOTUS | LTS0076741 |
| wikiData | Q82432702 |