Euphracal
| Internal ID | 33d8c284-ba98-4ea1-a703-a33297ed730c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,10aS)-5,6-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3=CC(=C(C(=C32)O)O)C(C)(C)O)C=O)C |
| SMILES (Isomeric) | CC1(CCC[C@]2([C@H]1CCC3=CC(=C(C(=C32)O)O)C(C)(C)O)C=O)C |
| InChI | InChI=1S/C20H28O4/c1-18(2)8-5-9-20(11-21)14(18)7-6-12-10-13(19(3,4)24)16(22)17(23)15(12)20/h10-11,14,22-24H,5-9H2,1-4H3/t14-,20+/m0/s1 |
| InChI Key | PYTLDRWOIRGNPZ-VBKZILBWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.00 |
| 126005-98-9 |
| DTXSID40155043 |
| 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 | 99.12% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.83% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.75% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.93% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.34% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.03% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.89% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.88% | 91.49% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.05% | 91.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.51% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.87% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.87% | 93.40% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.05% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.88% | 93.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.49% | 90.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.93% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.92% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.92% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.34% | 94.75% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.73% | 99.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 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.
| Salvia euphratica |
| PubChem | 182743 |
| LOTUS | LTS0011715 |
| wikiData | Q83022645 |