Rezishanone B
| Internal ID | 9b21b472-e313-421c-bed1-ad76d2e99707 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Acyloins |
| IUPAC Name | (1R,3S,4S,5E)-7-butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione |
| SMILES (Canonical) | CCCCOC1CC2C(=C(C=CC=CC)O)C(=O)C1(C(=O)C2(C)O)C |
| SMILES (Isomeric) | CCCCOC1C[C@H]2/C(=C(/C=C/C=C/C)\O)/C(=O)[C@@]1(C(=O)[C@@]2(C)O)C |
| InChI | InChI=1S/C20H28O5/c1-5-7-9-10-14(21)16-13-12-15(25-11-8-6-2)19(3,17(16)22)18(23)20(13,4)24/h5,7,9-10,13,15,21,24H,6,8,11-12H2,1-4H3/b7-5+,10-9+,16-14+/t13-,15?,19+,20-/m0/s1 |
| InChI Key | SSIULBZZANASKU-KAQAKNCJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.20 |
| (1R,3S,4S,5E)-7-butoxy-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione |
| (1R,3S,4S,5E)-7-butoxy-3-hydroxy-5-((2E,4E)-1-hydroxyhexa-2,4-dienylidene)-1,3-dimethylbicyclo(2.2.2)octane-2,6-dione |
| RefChem:179039 |
| CHEBI:218539 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.42% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.27% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.14% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.07% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.80% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.69% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.69% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.08% | 93.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.23% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 101740038 |
| LOTUS | LTS0116448 |
| wikiData | Q77566607 |