Chaetoglobolsin-540
| Internal ID | a944300a-e8b1-4d9e-8c02-7cb8921b9519 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1S,3E,6R,7E,9S,11E,13S,16S,17R,18S)-16-ethyl-6-hydroxy-18-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,15-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,14-tetraene-2,5,20-trione |
| SMILES (Canonical) | CCC1C2C(NC(=O)C23C(C=CCC(C=C(C(C(=O)C=CC3=O)O)C)C)C=C1C)C(C)C4=CNC5=CC=CC=C54 |
| SMILES (Isomeric) | CC[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(/[C@H](C(=O)/C=C/C3=O)O)\C)C)C=C1C)[C@H](C)C4=CNC5=CC=CC=C54 |
| InChI | InChI=1S/C34H40N2O4/c1-6-24-20(3)17-23-11-9-10-19(2)16-21(4)32(39)28(37)14-15-29(38)34(23)30(24)31(36-33(34)40)22(5)26-18-35-27-13-8-7-12-25(26)27/h7-9,11-19,22-24,30-32,35,39H,6,10H2,1-5H3,(H,36,40)/b11-9+,15-14+,21-16+/t19-,22+,23-,24+,30-,31-,32+,34+/m0/s1 |
| InChI Key | LSIWIWGGYFLGNV-KAUCWJAOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H40N2O4 |
| Molecular Weight | 540.70 g/mol |
| Exact Mass | 540.29880776 g/mol |
| Topological Polar Surface Area (TPSA) | 99.30 Ų |
| XlogP | 5.20 |
| Chaetoglobolsin-540 |
| CHEMBL505696 |
| 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 | 97.84% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.50% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.53% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.30% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.40% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.07% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.61% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.52% | 97.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.55% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.19% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.61% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.96% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.11% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.01% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.79% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.78% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.60% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.50% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.21% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.60% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.55% | 90.00% |
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 | 11692374 |
| LOTUS | LTS0212404 |
| wikiData | Q77567646 |