ROBUSTAFLAVONE

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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 BORWSEZUWHQTOK-UHFFFAOYSA-N
Smiles Oc1ccc(cc1)C2=CC(=O)c3c(O)c(c(O)cc3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5
InChI
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H18O10
Molecular Weight 538.46
AlogP 4.51
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 173.98
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 40.0
Assay Description Organism Bioactivity Reference
Inhibition of photosystem II in freshly lysed Spinacia oleracea (spinach) leaves chloroplasts assessed as induction of loss of reactions centers capacity to capture excitons at 300 to 900 uM Spinacia oleracea None
Inhibition of basal electron transport flow in Spinacia oleracea (spinach) leaves intact chloroplasts at 88 uM Spinacia oleracea 22.0 %
Inhibition of uncoupled electron transport flow in Spinacia oleracea (spinach) leaves intact chloroplasts Spinacia oleracea 88000.0 nM
Inhibition of thylakoid membrane bound Magnesium-transporting Mg2+ ATPase in Spinacia oleracea (spinach) leaves chloroplasts assessed as enzyme activity at 300 uM Spinacia oleracea 76.0 %
Inhibition of thylakoid membrane bound Magnesium-transporting Mg2+ ATPase in Spinacia oleracea (spinach) leaves chloroplasts assessed as enzyme activity at 200 uM Spinacia oleracea 76.0 %
Inhibition of thylakoid membrane bound Magnesium-transporting Mg2+ ATPase in Spinacia oleracea (spinach) leaves chloroplasts assessed as enzyme activity at 100 uM Spinacia oleracea 76.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from TMQH2 to MV at 300 uM Spinacia oleracea 100.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from TMQH2 to MV at 200 uM Spinacia oleracea 100.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from TMQH2 to MV at 100 uM Spinacia oleracea 100.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DCPIP to MV at 300 uM Spinacia oleracea 100.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DCPIP to MV at 200 uM Spinacia oleracea 100.0 %
Inhibition of photosystem I in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DCPIP to MV at 100 uM Spinacia oleracea 100.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DPC to DCPIP at 300 uM Spinacia oleracea 9.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DPC to DCPIP at 100 uM Spinacia oleracea 89.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to SiMo at 300 uM Spinacia oleracea 50.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to SiMo at 200 uM Spinacia oleracea 50.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to SiMo at 100 uM Spinacia oleracea 100.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to DCPIP at 200 uM Spinacia oleracea 43.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to DCPIP at 300 uM Spinacia oleracea 29.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from DPC to DCPIP at 200 uM Spinacia oleracea 35.0 %
Inhibition of photosystem II in Spinacia oleracea (spinach) leaves intact chloroplasts assessed as electron transport flow from H2O to DCPIP at 100 uM Spinacia oleracea 57.0 %
Inhibition of ATP synthesis in Spinacia oleracea (spinach) leaves intact chloroplasts Spinacia oleracea 44000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL63677
PubChem 5281694
SureChEMBL SCHEMBL561807
CONTENTS