Phomocytochalasin A
| Internal ID | a5302785-4618-4fc1-9870-5ade97ab0faf |
| Taxonomy | Alkaloids and derivatives > Cytochalasans |
| IUPAC Name | [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] propanoate |
| SMILES (Canonical) | CCC(=O)OC1C=CC(CC(CC=CC2C13C(C(C(=C)C2O)C)C(NC3=O)CC4=CC=CC=C4)C)(C)O |
| SMILES (Isomeric) | CCC(=O)O[C@@H]1/C=C/[C@](C[C@H](C/C=C/[C@@H]2[C@]13[C@@H]([C@@H](C(=C)[C@H]2O)C)[C@@H](NC3=O)CC4=CC=CC=C4)C)(C)O |
| InChI | InChI=1S/C31H41NO5/c1-6-26(33)37-25-15-16-30(5,36)18-19(2)11-10-14-23-28(34)21(4)20(3)27-24(32-29(35)31(23,25)27)17-22-12-8-7-9-13-22/h7-10,12-16,19-20,23-25,27-28,34,36H,4,6,11,17-18H2,1-3,5H3,(H,32,35)/b14-10+,16-15+/t19-,20+,23-,24-,25+,27-,28+,30-,31+/m0/s1 |
| InChI Key | KYPVMFRLDNPIBD-RHHBANPHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H41NO5 |
| Molecular Weight | 507.70 g/mol |
| Exact Mass | 507.29847341 g/mol |
| Topological Polar Surface Area (TPSA) | 95.90 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
| 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 | 98.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.87% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.59% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.93% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.41% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.08% | 97.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.09% | 95.50% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.79% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.71% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.63% | 92.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.33% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.12% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.10% | 93.03% |
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 | 146684053 |
| LOTUS | LTS0079884 |
| wikiData | Q105147845 |