Isotoosendanin
Internal ID | c6d30ae8-d0ed-4d4f-ba6a-e49ab7cfaf7c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
IUPAC Name | [4-acetyloxy-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)C(C5(C4C(=O)CC5C6=COC=C6)C)OC(=O)C)C)O)C)O)O |
SMILES (Isomeric) | CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C4C(=O)CC5C6=COC=C6)C)OC(=O)C)C)O)C)O)O |
InChI | InChI=1S/C30H38O11/c1-13(31)40-21-10-20(35)30-12-39-26(37)28(21,4)18(30)9-19(34)29(5)23-17(33)8-16(15-6-7-38-11-15)27(23,3)25(41-14(2)32)22(36)24(29)30/h6-7,11,16,18-21,23-26,34-35,37H,8-10,12H2,1-5H3 |
InChI Key | GEHGAWHOBGXBGC-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C30H38O11 |
Molecular Weight | 574.60 g/mol |
Exact Mass | 574.24141202 g/mol |
Topological Polar Surface Area (TPSA) | 170.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of Isotoosendanin 2D Structure of Isotoosendanin](https://plantaedb.com/storage/docs/compounds/2023/11/isotoosendanin.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 | 97.74% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.64% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.60% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.86% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.99% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.02% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.74% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.33% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.24% | 100.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.22% | 85.14% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.53% | 97.28% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.30% | 94.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.28% | 91.19% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.98% | 95.71% |
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.
Melia azedarach |
PubChem | 78119096 |
LOTUS | LTS0113820 |
wikiData | Q105007167 |