Cytochalasin Z20
| Internal ID | 80857656-ddb7-4afd-8bf6-52aa6e580d5c |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1aS,2S,2aS,5S,5aS,6S,6aR)-5-benzyl-2a-hydroxy-2-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-6,6a-dimethyl-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H33NO5/c1-14(21(28)16(3)27)9-8-12-18-22-24(4,31-22)15(2)20-19(26-23(29)25(18,20)30)13-17-10-6-5-7-11-17/h5-8,10-12,14-16,18-20,22,27,30H,9,13H2,1-4H3,(H,26,29)/b12-8+/t14-,15-,16-,18-,19-,20-,22-,24+,25+/m0/s1 |
| InChI Key | NBVORADFJOAZAV-HFUIFYSESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H33NO5 |
| Molecular Weight | 427.50 g/mol |
| Exact Mass | 427.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 99.20 Ų |
| XlogP | 2.30 |
| CHEMBL4793268 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.99% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.14% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.38% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.52% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.40% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.38% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.30% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.25% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.09% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.14% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.96% | 98.59% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.93% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.22% | 94.62% |
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.
| There are no matching plants. |
| PubChem | 139586873 |
| LOTUS | LTS0063829 |
| wikiData | Q77516521 |