(11)-cytochalasa-13-ene-1,21-dione-6,7-epoxy-18,19-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18S*,19R*)
| Internal ID | e89c6454-bd3c-4a98-af71-cecc369c9de6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives |
| IUPAC Name | (1S,4S,5R,7R,9E,11S,12R,14S,15R,16S,17R)-17-benzyl-4,5-dihydroxy-5,7,14,15-tetramethyl-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadec-9-ene-2,19-dione |
| SMILES (Canonical) | CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CC(C(C1)(C)O)O)C(=O)NC4CC5=CC=CC=C5)C)C |
| SMILES (Isomeric) | C[C@@H]1C/C=C/[C@@H]2[C@@H]3[C@@](O3)([C@@H]([C@H]4[C@]2(C(=O)C[C@@H]([C@](C1)(C)O)O)C(=O)N[C@@H]4CC5=CC=CC=C5)C)C |
| InChI | InChI=1S/C28H37NO5/c1-16-9-8-12-19-24-27(4,34-24)17(2)23-20(13-18-10-6-5-7-11-18)29-25(32)28(19,23)22(31)14-21(30)26(3,33)15-16/h5-8,10-12,16-17,19-21,23-24,30,33H,9,13-15H2,1-4H3,(H,29,32)/b12-8+/t16-,17-,19-,20-,21+,23-,24-,26-,27+,28+/m1/s1 |
| InChI Key | WJNMJGWIIFOTSY-SZZNQFQKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37NO5 |
| Molecular Weight | 467.60 g/mol |
| Exact Mass | 467.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 99.20 Ų |
| XlogP | 2.90 |
| 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 | 98.58% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.95% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.11% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.54% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.08% | 97.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.03% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.99% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.43% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.46% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.00% | 93.03% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.65% | 85.11% |
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 | 139588436 |
| LOTUS | LTS0222065 |
| wikiData | Q105306949 |