18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N
| Internal ID | 9fc0ebe1-9e57-4f02-a8e4-90810abfd29b |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1S,3R,5S,6R,7R,8S,10E,12R,13S,14S,16R,17R,18S)-18-benzyl-7,13-dihydroxy-6,8,14,16-tetramethyl-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-ene-2,20-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H35NO6/c1-14-9-8-12-17-23(31)27(4)26(3,35-27)22-18(13-16-10-6-5-7-11-16)29-25(33)28(17,22)24(32)21-20(34-21)15(2)19(14)30/h5-8,10-12,14-15,17-23,30-31H,9,13H2,1-4H3,(H,29,33)/b12-8+/t14-,15+,17-,18-,19+,20-,21+,22+,23-,26+,27-,28-/m0/s1 |
| InChI Key | OTCGMUXCJDAGIF-QLYHLFCPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H35NO6 |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 2.40 |
| 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 | 98.29% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.92% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.13% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.43% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.07% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.30% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.90% | 97.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.76% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.65% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.46% | 90.71% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.08% | 95.48% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.51% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.33% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.20% | 96.25% |
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 | 146683440 |
| LOTUS | LTS0070471 |
| wikiData | Q105199482 |