Chaetochalasin A
| Internal ID | 34541af1-d9c1-4642-819d-58b974285b37 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1S,2S,5R,6R,7S,10S,12S,15S,16R,18S,20S)-4,5,16,18,20-pentamethyl-7-propan-2-yl-8-azapentacyclo[10.8.0.02,10.06,10.015,20]icosa-3,13-diene-9,11-dione |
| SMILES (Canonical) | CC1CC(C2C=CC3C(C2(C1)C)C4C=C(C(C5C4(C3=O)C(=O)NC5C(C)C)C)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@H]([C@H]2C=C[C@H]3[C@@H]([C@]2(C1)C)[C@@H]4C=C([C@@H]([C@@H]5[C@@]4(C3=O)C(=O)N[C@H]5C(C)C)C)C)C |
| InChI | InChI=1S/C27H39NO2/c1-13(2)23-21-17(6)15(4)11-20-22-18(24(29)27(20,21)25(30)28-23)8-9-19-16(5)10-14(3)12-26(19,22)7/h8-9,11,13-14,16-23H,10,12H2,1-7H3,(H,28,30)/t14-,16+,17-,18-,19+,20-,21-,22+,23-,26-,27-/m0/s1 |
| InChI Key | MYAIFNPIHQINJU-WSBLIIRGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H39NO2 |
| Molecular Weight | 409.60 g/mol |
| Exact Mass | 409.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 5.70 |
| (1S,2S,5R,6R,7S,10S,12S,15S,16R,18S,20S)-4,5,16,18,20-Pentamethyl-7-propan-2-yl-8-azapentacyclo[10.8.0.02,10.06,10.015,20]icosa-3,13-diene-9,11-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.63% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.06% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.31% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.91% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.72% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.25% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.85% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.26% | 97.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.50% | 90.08% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.96% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.83% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.70% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.50% | 93.40% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.54% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.53% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.34% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.18% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10431661 |
| LOTUS | LTS0062847 |
| wikiData | Q105174743 |