Cineracipadesin E
| Internal ID | c4da36cc-07d3-4bf0-bfb9-9d807bf294cf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | methyl 2-[(1S,3R,4R,5S,7S,8S,9R,10R,12S,13S)-4,5,10-triacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H42O12/c1-16-25-21(41-17(2)34)13-31(7)27(20-10-11-40-15-20)44-24(38)14-33(16,31)45-29-26(42-18(3)35)28(43-19(4)36)30(5,6)22(32(25,29)8)12-23(37)39-9/h10-11,15,21-22,25-29H,1,12-14H2,2-9H3/t21-,22+,25-,26+,27+,28-,29+,31+,32+,33+/m1/s1 |
| InChI Key | XOHDFBDEDHOXGP-BSVGXPJOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H42O12 |
| Molecular Weight | 630.70 g/mol |
| Exact Mass | 630.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 2.60 |
| CHEMBL559287 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.07% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.73% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.00% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.49% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.59% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.67% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.57% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.08% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.84% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.45% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.78% | 90.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.23% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.85% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.80% | 92.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.63% | 91.24% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.09% | 98.59% |
| CHEMBL5028 | O14672 | ADAM10 | 80.53% | 97.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.45% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
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.
| Cipadessa baccifera |
| PubChem | 45269753 |
| LOTUS | LTS0180776 |
| wikiData | Q105337749 |