Glaucarubine-2'-acetate
| Internal ID | 70e22427-9695-49a6-9706-bdede63ce9f4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | (4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-acetyloxy-2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O11/c1-7-24(5,38-13(4)28)23(33)37-18-17-12(3)19(30)27(34)22-25(6)14(11(2)8-15(29)20(25)31)9-16(36-21(18)32)26(17,22)10-35-27/h8,12,14-20,22,29-31,34H,7,9-10H2,1-6H3 |
| InChI Key | DOBUSWRCXDWEOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O11 |
| Molecular Weight | 538.60 g/mol |
| Exact Mass | 538.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.40 |
| 68703-93-5 |
| Glaucarubine-2'-acetate |
| GLAUCARUBINE, 2'-ACETYL |
| DTXSID80315861 |
| NSC-297898 |
| 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 | 98.72% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.02% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.30% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.24% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.52% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.80% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.78% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.46% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.20% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.00% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.91% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.14% | 96.77% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.41% | 96.90% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.81% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.55% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.39% | 96.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.37% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.03% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.90% | 92.94% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.31% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.00% | 93.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.75% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.54% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.13% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.11% | 94.33% |
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.
| Samadera bidwillii |
| PubChem | 326462 |
| LOTUS | LTS0173974 |
| wikiData | Q82069223 |