Wailupemycin B
| Internal ID | 893f632f-208d-41f2-ad1a-4a4aa9fb9304 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,3R,6R,8R)-3-hydroxy-8-[(4-methoxy-6-oxopyran-2-yl)methyl]-1-phenyl-9,10-dioxatricyclo[4.3.1.03,8]decan-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O7/c1-25-14-7-15(26-18(23)9-14)10-19-11-16-8-17(22)20(19,24)12-21(27-16,28-19)13-5-3-2-4-6-13/h2-7,9,16,24H,8,10-12H2,1H3/t16-,19-,20-,21+/m0/s1 |
| InChI Key | AMKBZANFPJYUOK-LRGNLBRXSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C21H20O7 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 0.80 |
| SCHEMBL17867269 |
| (1R,3R,6R,8R)-3-Hydroxy-8-[(4-methoxy-6-oxopyran-2-yl)methyl]-1-phenyl-9,10-dioxatricyclo[4.3.1.03,8]decan-4-one |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.76% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.38% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.31% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.08% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.79% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.43% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.24% | 94.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.12% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.10% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.83% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.44% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.17% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.84% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.63% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.51% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.33% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.22% | 99.17% |
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 | 10548038 |
| LOTUS | LTS0206016 |
| wikiData | Q77565576 |