DEHYDROZALUZANIN C

/static/temp/default.svg Search structure
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 KNQLJJDOGQIMMT-IMIFBBOLSA-N
Smiles C=C1CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1CC(=O)C3=C
InChI
InChI=1S/C15H16O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-11,13-14H,1-6H2/t10-,11-,13-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16O3
Molecular Weight 244.29
AlogP 2.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Inhibition of root length of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of hypocotyl length of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of germination of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of root length of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of hypocotyl length of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of germination of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of hypocotyl length of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of root length of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of hypocotyl length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Inhibition of germination of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of root length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Inhibition of germination of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Inhibition of hypocotyl length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of root length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of germination of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of hypocotyl length of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of root length of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of hypocotyl length of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of germination of Allium cepa cv. Valenciana (onion) at 0.1 mM or 1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of root length of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of germination of Triticum aestivum cv. Cortex (wheat) at 0.1 mM or 1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of hypocotyl length of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of root length of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of germination of Solanum lycopersicum cv. Tres Cantos (tomato) at 0.1 mM or 1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of hypocotyl length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Stimulation of root length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Stimulation of germination of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Stimulation of root length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of hypocotyl length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of germination of Lactuca sativa cv. Roman (lettuce) at 0.1 mM or 1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2270297
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