Chaetomadrasin A
| Internal ID | 5ade9fb2-6c38-4a27-85a0-f95dec4185f6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1R,9S,13R,15S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,5,6,14,20-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,19-20,23,25,28,33H,8,12-13,15H2,1-4H3,(H,34,39)/t17-,19+,20-,23-,25-,28-,32+/m0/s1 |
| InChI Key | ZVGDMFNGQGPHGS-BLKGCJBVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H36N2O5 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.26242225 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.59% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.50% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.86% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.59% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.59% | 93.99% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.70% | 97.64% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.93% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.49% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.56% | 92.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.01% | 96.39% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.65% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.55% | 96.09% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.67% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.57% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.49% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.48% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.54% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.45% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.70% | 85.14% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.22% | 96.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.18% | 89.62% |
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.
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| There are no matching plants. |
| PubChem | 146682644 |
| LOTUS | LTS0076679 |
| wikiData | Q105384269 |