4-Hydroxy-6-(3-hydroxy-3-methylpent-1-enyl)-3,5-dimethyloxan-2-one
| Internal ID | a0658aed-209a-42a3-ab58-49a31cd4c5a6 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | 4-hydroxy-6-(3-hydroxy-3-methylpent-1-enyl)-3,5-dimethyloxan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H22O4/c1-5-13(4,16)7-6-10-8(2)11(14)9(3)12(15)17-10/h6-11,14,16H,5H2,1-4H3 |
| InChI Key | GIMCNFHSLMRMLR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H22O4 |
| Molecular Weight | 242.31 g/mol |
| Exact Mass | 242.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.69% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.61% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.49% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.21% | 98.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.28% | 99.43% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.91% | 89.34% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.07% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.22% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.11% | 96.09% |
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 | 162924761 |
| LOTUS | LTS0076410 |
| wikiData | Q104167198 |