CANOPHYLLOL

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Synonyms
Molecule Category Free-form
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 YPWQSKQSNNTXOL-TWWFCBCGSA-N
Smiles C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@@]2(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]34C
InChI
InChI=1S/C30H50O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H50O2
Molecular Weight 442.72
AlogP 6.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.29
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0
Assay Description Organism Bioactivity Reference
Effect on photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as appearance of K and J-bands of K-bands at 100 to 200 uM measured 48 hr post compound application Physalis ixocarpa None
Effect on biomass production in Physalis ixocarpa assessed as plant dry weight at 200 uM measured 14 days post compound application relative to untreated control Physalis ixocarpa 99.0 %
Effect on biomass production in Physalis ixocarpa assessed as plant dry weight at 100 uM measured 14 days post compound application relative to untreated control Physalis ixocarpa 81.5 %
Effect on biomass production in Lolium perenne (perennial ryegrass) assessed as plant dry weight at 100 uM measured 14 days post compound application relative to untreated control Lolium perenne 117.1 %
Effect on biomass production in Lolium perenne (perennial ryegrass) assessed as plant dry weight at 200 uM measured 14 days post compound application relative to untreated control Lolium perenne 140.3 %
Effect on photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as increase in PI(abs) level at 100 uM measured 72 hr post compound application Physalis ixocarpa 10.0 %
Inhibition of photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as loss of K-bands at 200 uM measured 72 hr post compound application Physalis ixocarpa None
Inhibition of photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as reduction in PI(abs) level at 100 uM measured 72 hr post compound application Physalis ixocarpa 25.0 %
Inhibition of photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as reduction in PI(abs) level at 200 uM measured 48 hr post compound application Physalis ixocarpa 10.0 %
Inhibition of photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as reduction in PI(abs) level at 100 uM measured 48 hr post compound application Physalis ixocarpa 10.0 %
Inhibition of photosynthetic efficiency in Physalis ixocarpa intact leaves assessed as effect on OJIP transients at 100 uM measured 24 hr post compound application Physalis ixocarpa None
Inhibition of photosynthetic efficiency in Lolium perenne (perennial ryegrass) at 200 uM measured 24 to 72 hr post compound application Lolium perenne None
Inhibition of photosynthetic efficiency in Lolium perenne (perennial ryegrass) at 100 uM measured 72 hr post compound application Lolium perenne 15.0 %
Inhibition of photosynthetic efficiency in Lolium perenne (perennial ryegrass) at 100 uM measured 24 hr post compound application Lolium perenne 50.0 %
Inhibition of photosynthetic efficiency in Lolium perenne (perennial ryegrass) at 100 uM measured 48 hr post compound application Lolium perenne None
Effect on photosynthesis efficiency in Spinacia oleracea (spinach) leaves freshly lysed chloroplasts assessed as change in chlorophyll a fluorescence at 150 to 450 uM Spinacia oleracea None
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCPIP at 300 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 100.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCPIP at 200 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 95.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCPIP at 100 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 108.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to SiMo at 300 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 0.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to SiMo at 200 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 100.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to SiMo at 100 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 20.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCBQ at 300 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 44.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCBQ at 200 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 50.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCBQ at 100 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 68.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCPIP at 50 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 105.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to SiMo at 50 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 60.0 %
Increase in Magnesium-transporting ATPase activity in Spinacia oleracea (spinach) leaves chloroplasts thylakoids at 200 uM Spinacia oleracea 116.0 %
Increase in Magnesium-transporting ATPase activity in Spinacia oleracea (spinach) leaves chloroplasts thylakoids at 300 uM Spinacia oleracea 126.0 %
Inhibition of uncoupled photosystem II electron transport and partial reactions in Spinacia oleracea (spinach) leaves assessed as electron transport rate from water to DCBQ at 50 uM measured per mg of chlorophyll relative to untreated control Spinacia oleracea 89.0 %
Inhibition of basal electron transport from water to MV in Spinacia oleracea (spinach) leaves chloroplasts up to 300 uM using Clark type electrode system based method Spinacia oleracea None
Inhibition of uncoupled electron transport from water to MV in Spinacia oleracea (spinach) leaves chloroplasts up to 300 uM using Clark type electrode system based method Spinacia oleracea None
Inhibition of phosphorylating noncyclic electron transport from water to MV in Spinacia oleracea (spinach) leaves chloroplasts up to 300 uM using Clark type electrode system based method Spinacia oleracea None
Inhibition of photophosphorylation in Spinacia oleracea (spinach) leaves chloroplasts by titrimetry Spinacia oleracea 124000.0 nM Inhibition of photophosphorylation in Spinacia oleracea (spinach) leaves chloroplasts by titrimetry Spinacia oleracea None
Increase in Magnesium-transporting ATPase activity in Spinacia oleracea (spinach) leaves chloroplasts thylakoids at 100 uM Spinacia oleracea 110.0 %

Cross References

Resources Reference
ChEMBL CHEMBL483012
PubChem 7330581
SureChEMBL SCHEMBL4413819
CONTENTS