22beta-Acetoxy-3beta,16alpha-dihydroxy-13,28-epoxyolean-29-al
| Internal ID | 64fcb76b-0480-40b1-aa1a-0f7594e96f4b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (20-formyl-2,10-dihydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-22-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CC(CC2C13COC24CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)O)C)(C)C=O |
| SMILES (Isomeric) | CC(=O)OC1CC(CC2C13COC24CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)O)C)(C)C=O |
| InChI | InChI=1S/C32H50O6/c1-19(34)38-25-16-27(4,17-33)14-22-31(25)18-37-32(22)13-9-21-28(5)11-10-23(35)26(2,3)20(28)8-12-29(21,6)30(32,7)15-24(31)36/h17,20-25,35-36H,8-16,18H2,1-7H3 |
| InChI Key | XEDAOYZUWVVSKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O6 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.80 |
| 22.beta.-Acetoxy-3.beta.,16.alpha.-dihydroxy-13,28-epoxyolean-29-al |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.70% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.39% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.99% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.93% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.75% | 92.94% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.89% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.97% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.88% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.76% | 89.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.45% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.37% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.28% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.16% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.72% | 92.62% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.51% | 100.00% |
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.
| Androsace umbellata |
| PubChem | 610201 |
| LOTUS | LTS0223906 |
| wikiData | Q105326264 |