Platencinic acid glycerol ester
| Internal ID | c938782a-d73c-4215-b981-7ec5f86e5e8b |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols |
| IUPAC Name | 2,3-dihydroxypropyl 3-[(1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate |
| SMILES (Canonical) | CC1(C2CC3CCC2(CC3=C)C=CC1=O)CCC(=O)OCC(CO)O |
| SMILES (Isomeric) | C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)OCC(CO)O |
| InChI | InChI=1S/C20H28O5/c1-13-10-20-7-3-14(13)9-16(20)19(2,17(23)4-8-20)6-5-18(24)25-12-15(22)11-21/h4,8,14-16,21-22H,1,3,5-7,9-12H2,2H3/t14-,15?,16-,19-,20+/m0/s1 |
| InChI Key | FYKIZBPSTADBEK-HEXGFAOWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.80 |
| 2,3-dihydroxypropyl 3-((1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxo-5-tricyclo(6.2.2.01,6)dodec-2-enyl)propanoate |
| 2,3-Dihydroxypropyl 3-((1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxotricyclo(6.2.2.0,)dodec-2-en-5-yl)propanoic acid |
| 2,3-dihydroxypropyl 3-[(1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate |
| 2,3-Dihydroxypropyl 3-[(1S,5S,6R,8S)-5-methyl-9-methylidene-4-oxotricyclo[6.2.2.0,]dodec-2-en-5-yl]propanoic acid |
| RefChem:174781 |
| Platencinate glycerol ester |
| CHEBI:68267 |
| Q27136760 |
| 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 | 98.11% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.64% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.50% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.70% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.52% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.04% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.17% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.27% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.25% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.51% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.28% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.14% | 91.07% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.91% | 92.88% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.04% | 96.77% |
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 | 52937573 |
| LOTUS | LTS0224566 |
| wikiData | Q27136760 |