DEHYDROCOSTUSLACTONE

/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 NETSQGRTUNRXEO-XUXIUFHCSA-N
Smiles C=C1CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1CCC3=C
InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18O2
Molecular Weight 230.3
AlogP 3.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
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 20.0 %
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 None
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 None
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 None
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 20.0 %
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 20.0 %
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 None
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 20.0 %
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 20.0 %
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 None
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 None
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 None
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 20.0 %
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 None
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 20.0 %
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 20.0 %

Cross References

Resources Reference
ChEMBL CHEMBL88985
PubChem 73174
SureChEMBL SCHEMBL699070
ZINC ZINC00898477
CONTENTS