Amoorastatone
Internal ID | 51c2e2f0-2273-4b0e-b5d1-d1d2391b139d |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
IUPAC Name | [(1S,2S,5S,6R,9R,10S,11R,13R,14R,15S,18S,20R)-6-(furan-3-yl)-11,15,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate |
SMILES (Canonical) | CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)CC5(C4C(=O)CC5C6=COC=C6)C)C)O)C)O)O |
SMILES (Isomeric) | CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@@H]([C@@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)C[C@@]5([C@H]4C(=O)C[C@H]5C6=COC=C6)C)C)O)C)O)O |
InChI | InChI=1S/C28H36O9/c1-13(29)37-21-9-20(33)28-12-36-24(34)26(21,3)18(28)8-19(32)27(4)22-16(30)7-15(14-5-6-35-11-14)25(22,2)10-17(31)23(27)28/h5-6,11,15,18-24,32-34H,7-10,12H2,1-4H3/t15-,18-,19+,20-,21+,22+,23-,24-,25-,26+,27-,28+/m0/s1 |
InChI Key | AVCDQWFQBMQSRK-XQKVDTIXSA-N |
Popularity | 2 references in papers |
Molecular Formula | C28H36O9 |
Molecular Weight | 516.60 g/mol |
Exact Mass | 516.23593272 g/mol |
Topological Polar Surface Area (TPSA) | 144.00 Ų |
XlogP | 0.40 |
CHEMBL486677 |
![2D Structure of Amoorastatone 2D Structure of Amoorastatone](https://plantaedb.com/storage/docs/compounds/2023/11/amoorastatone.jpg)
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.26% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.17% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.51% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.76% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.21% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.30% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.67% | 100.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.52% | 94.00% |
CHEMBL5028 | O14672 | ADAM10 | 82.01% | 97.50% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.34% | 93.04% |
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.
Aphanamixis polystachya |
Melia azedarach |
PubChem | 44575784 |
LOTUS | LTS0137310 |
wikiData | Q104919317 |