7-O-(Galactosyl)brefeldin A
| Internal ID | d2ab0ca0-1fd2-4f29-915c-f85f85c88ba3 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,2S,3E,11E,13R)-2-hydroxy-7-methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34O9/c1-12-5-3-2-4-6-13-9-14(10-15(13)16(24)7-8-18(25)29-12)30-22-21(28)20(27)19(26)17(11-23)31-22/h4,6-8,12-17,19-24,26-28H,2-3,5,9-11H2,1H3/b6-4+,8-7+/t12?,13-,14?,15-,16-,17+,19-,20-,21+,22+/m0/s1 |
| InChI Key | WMQPIXSJUDBUIO-HPOHLNNVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H34O9 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.40 |
| 156663-50-2 |
| 7-Gal-brefeldin A |
| 7-O-beta-D-Galactosyl-brefeldin A |
| (1S,2S,3E,11E,13R)-2-hydroxy-7-methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one |
| 4H-Cyclopent(f)oxacyclotridecin-4-one, 13-(beta-D-galactopyranosyloxyoxy)-1,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-, (1R-(1R*,2E,6S*,10E,11aS*,13S*,14aR*))- |
| 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 | 97.39% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.42% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.89% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.70% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.89% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.34% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.24% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.29% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.16% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.64% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.55% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.16% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.78% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.90% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.33% | 92.94% |
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 | 6440725 |
| LOTUS | LTS0221123 |
| wikiData | Q105308775 |