Cipadesin O
| Internal ID | 43976d8b-89bb-4d24-a659-13410dc9eb26 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [(1R,2R,4S,5R,9R,10R,14S,15S,17R)-9-(furan-3-yl)-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-12-en-17-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2C3C4(O3)C5CC(=O)OC(C5(CC=C4C(C2=O)(C(C1(C)C)CC(=O)OC)C)C)C6=COC=C6 |
| SMILES (Isomeric) | CCC(C)C(=O)O[C@@H]1[C@@H]2[C@@H]3[C@]4(O3)[C@@H]5CC(=O)O[C@H]([C@@]5(CC=C4[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C)C)C6=COC=C6 |
| InChI | InChI=1S/C32H40O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h9-10,12,15-16,19-20,23,25-27H,8,11,13-14H2,1-7H3/t16?,19-,20+,23+,25-,26+,27+,30+,31+,32+/m0/s1 |
| InChI Key | TVTLDMQYMFTWRY-VSMKCZCLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H40O9 |
| Molecular Weight | 568.70 g/mol |
| Exact Mass | 568.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 3.40 |
| CHEMBL1215112 |
| 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 | 98.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.96% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.17% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.02% | 98.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.82% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.39% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.93% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.25% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.09% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.94% | 93.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.40% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.18% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.55% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.90% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.56% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.84% | 85.30% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.80% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.67% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.32% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.74% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.39% | 97.50% |
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 | 49864069 |
| LOTUS | LTS0163744 |
| wikiData | Q105265543 |