8ALPHA-HYDROXYACHILLIN

/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 YMUOZXZDDBRJEP-GXTNAYEGSA-N
Smiles C[C@@H]1[C@H]2[C@@H](O)CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
InChI
InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3/t8-,10+,12+,13+,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18O4
Molecular Weight 262.3
AlogP 1.54
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 63.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0
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 None
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 None
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 None
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 None
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 None
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 None
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 20.0 %
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 None
Inhibition of hypocotyl length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
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 20.0 %
Inhibition of root length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
Inhibition of germination of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
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 None
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 None
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 None
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 None
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 None
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 None
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 None
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 None
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 20.0 %
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 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 20.0 %
Stimulation of hypocotyl length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
Stimulation of root length of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
Stimulation of germination of Lepidium sativum at 0.1 mM or 1 mM after 5 days relative to untreated control Lepidium sativum None
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 None
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 None

Cross References

Resources Reference
ChEMBL CHEMBL2270093
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