5-Heptadecyl-4-hydroxy-3-(hydroxymethyl)-5-methyloxolan-2-one
| Internal ID | 511652ae-5417-45da-865f-683ce6ffdcd0 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 5-heptadecyl-4-hydroxy-3-(hydroxymethyl)-5-methyloxolan-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC1(C(C(C(=O)O1)CO)O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC1(C(C(C(=O)O1)CO)O)C |
| InChI | InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2)21(25)20(19-24)22(26)27-23/h20-21,24-25H,3-19H2,1-2H3 |
| InChI Key | VOVHGIJYIIRIQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H44O4 |
| Molecular Weight | 384.60 g/mol |
| Exact Mass | 384.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 8.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.33% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.11% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.50% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.11% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.45% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.75% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.09% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.65% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.54% | 94.45% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.38% | 90.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.78% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.29% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.95% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.77% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.68% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.52% | 90.08% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.39% | 97.50% |
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.
| Bicuiba oleifera |
| Peperomia blanda |
| Peperomia heyneana |
| PubChem | 73836994 |
| LOTUS | LTS0077206 |
| wikiData | Q104920209 |