3alpha-Acetoxymaoesin A
| Internal ID | 1ca05e00-119b-4c36-bbd1-11774ce9f471 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1S,4S,6R,9R,10R,11R,13R,16S,17S)-11-acetyloxy-8-hydroxy-17-(hydroxymethyl)-10-methyl-3-methylidene-2,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-10-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(C(CC2C3(C1C(OC4C3C5(CC(C4)C(=C)C5=O)C(=O)O2)O)CO)OC(=O)C)C |
| SMILES (Isomeric) | CC(=O)OC[C@@]1([C@@H](C[C@@H]2[C@@]3([C@@H]1C(O[C@H]4[C@@H]3[C@]5(C[C@@H](C4)C(=C)C5=O)C(=O)O2)O)CO)OC(=O)C)C |
| InChI | InChI=1S/C24H30O10/c1-10-13-5-14-17-23(7-13,19(10)28)21(30)34-16-6-15(32-12(3)27)22(4,9-31-11(2)26)18(20(29)33-14)24(16,17)8-25/h13-18,20,25,29H,1,5-9H2,2-4H3/t13-,14-,15-,16-,17-,18-,20?,22-,23+,24+/m1/s1 |
| InChI Key | WSLLKHLHBNYZFR-UVAFYJSGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H30O10 |
| Molecular Weight | 478.50 g/mol |
| Exact Mass | 478.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.40 |
| CHEMBL1641892 |
| 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 | 97.68% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.70% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.62% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.82% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.51% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.44% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.17% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.81% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.73% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.55% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.30% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.12% | 91.07% |
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.
| Isodon eriocalyx |
| PubChem | 53319173 |
| LOTUS | LTS0123993 |
| wikiData | Q105311939 |