(+)-EUDESMIN

/static/temp/default.svg Search structure
Synonyms
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key PEUUVVGQIVMSAW-RZTYQLBFSA-N
Smiles COc1ccc(cc1OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(OC)c(OC)c4
InChI
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26O6
Molecular Weight 386.44
AlogP 2.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 55.38
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 28.0
Assay Description Organism Bioactivity Reference
Antialgal activity against Selenastrum capricornutum assessed as inhibition measured for 96 hr Selenastrum capricornutum None
Antialgal activity against Selenastrum capricornutum assessed as lowest complete inhibition concentration measured for 4 days Selenastrum capricornutum 100.0 uM
Antialgal activity against Selenastrum capricornutum assessed as lowest observed effect concentration measured for 4 days Selenastrum capricornutum 100.0 uM
Antialgal activity against Pseudanabaena sp. LW397 assessed as inhibition measured for 96 hr Pseudanabaena sp. None
Antialgal activity against Pseudanabaena sp. LW397 assessed as lowest complete inhibition concentration measured for 4 days Pseudanabaena sp. 100.0 uM
Antialgal activity against Pseudanabaena sp. LW397 assessed as lowest observed effect concentration measured for 4 days Pseudanabaena sp. 100.0 uM
Antialgal activity against Planktothrix agardhii assessed as inhibition measured for 96 hr Planktothrix agardhii None
Antialgal activity against Planktothrix agardhii assessed as lowest complete inhibition concentration measured for 4 days Planktothrix agardhii 100.0 uM
Antialgal activity against Planktothrix agardhii assessed as lowest observed effect concentration measured for 4 days Planktothrix agardhii 100.0 uM
Antialgal activity against Oscillatoria perornata assessed as inhibition measured for 96 hr Oscillatoria None
Antialgal activity against Oscillatoria perornata assessed as lowest observed effect concentration measured for 4 days Oscillatoria 10.0 uM
Antialgal activity against Oscillatoria perornata assessed as lowest complete inhibition concentration measured for 4 daysos Oscillatoria 100.0 uM
Antifungal activity against Phomopsis obscurans assessed as growth inhibition at 50 uM measured at 144 hr by 96-well microtiter assay Phomopsis obscurans 80.0 %
Antifungal activity against Phomopsis obscurans assessed as growth inhibition at 50 uM measured at 120 hr by 96-well microtiter assay Phomopsis obscurans 80.0 %
Antifungal activity against Colletotrichum acutatum assessed as growth inhibition at 50 to 150 uM measured up to 72 hr by 96-well microtiter assay Colletotrichum acutatum None
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 50 to 150 uM measured up to 72 hr by 96-well microtiter assay Colletotrichum gloeosporioides None
Antifungal activity against Diaporthe ampelina assessed as growth inhibition at 50 to 150 uM measured up to 120 hr by 96-well microtiter assay Diaporthe ampelina None
Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 50 to 150 uM measured up to 72 hr by 96-well microtiter assay Colletotrichum fragariae None
Antifungal activity against Phomopsis obscurans assessed as growth inhibition at 50 to 150 uM measured up to 120 hr by 96-well microtiter assay Phomopsis obscurans None
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 50 to 150 uM measured up to 72 hr by 96-well microtiter assay Fusarium oxysporum None

Cross References

Resources Reference
ChEMBL CHEMBL519099
PubChem 73117
SureChEMBL SCHEMBL12427086
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