Chisomicine A
| Internal ID | c78d5255-f781-4291-bd15-0e948895c3b4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [(1R,2S,5R,6R,12Z,14R,15R,18S)-6-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-14-yl] (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H38O8/c1-7-18(2)29(36)39-25-9-8-20-21(32(5)23(15-26(34)37-6)31(25,4)16-24(32)33)10-12-30(3)22(20)14-27(35)40-28(30)19-11-13-38-17-19/h7-9,11,13,17,21,23,25,28H,10,12,14-16H2,1-6H3/b9-8-,18-7+/t21-,23-,25+,28-,30+,31+,32+/m0/s1 |
| InChI Key | XVHXALVCAPLJJX-TXTGMHMPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H38O8 |
| Molecular Weight | 550.60 g/mol |
| Exact Mass | 550.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.70 |
| RefChem:125224 |
| ((1R,2S,5R,6R,12Z,14R,15R,18S)-6-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo(13.2.1.02,11.05,10)octadeca-10,12-dien-14-yl) (E)-2-methylbut-2-enoate |
| CHEMBL1782585 |
| CHEBI:68095 |
| Q27136585 |
| 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 | 98.98% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.25% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.78% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.86% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.61% | 97.53% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.63% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.17% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.05% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.49% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.88% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.65% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.50% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.37% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.30% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.87% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.30% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.24% | 98.59% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.03% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.98% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.44% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.34% | 94.33% |
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.
| Chisocheton ceramicus |
| PubChem | 53356104 |
| NPASS | NPC329180 |
| ChEMBL | CHEMBL1782585 |