7-METHOXY-3A,10B-DIMETHYL-1,2,3,3A,5A,7,10B,10C-OCTAHYDRO-5,8-DIOXAACEPHENTHRYLENE-4,9-DIONE

/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 XFWZBMTTXLUWKW-YIUHCBHRSA-N
Smiles CO[C@H]1OC(=O)C=C2C1=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34
InChI
InChI=1S/C17H20O5/c1-16-5-4-6-17(2)13(16)11(21-15(17)19)7-9-10(16)8-12(18)22-14(9)20-3/h7-8,11,13-14H,4-6H2,1-3H3/t11-,13-,14+,16-,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20O5
Molecular Weight 304.34
AlogP 2.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 61.83
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Inhibition of shoot length of Solanum lycopersicum (tomato) at 10 uM after 5 days relative to untreated control Solanum lycopersicum None
Inhibition of root length of Solanum lycopersicum (tomato) at 10 uM after 5 days relative to untreated control Solanum lycopersicum None
Inhibition of germination of Solanum lycopersicum (tomato) at 10 uM after 5 days relative to untreated control Solanum lycopersicum None
Inhibition of shoot length of Lepidium sativum at 10 uM after 5 days relative to untreated control Lepidium sativum None
Inhibition of root length of Lepidium sativum at 10 uM after 5 days relative to untreated control Lepidium sativum None
Inhibition of germination of Lepidium sativum at 10 uM after 5 days relative to untreated control Lepidium sativum None
Inhibition of shoot length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Inhibition of germination of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of root length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of shoot length of Lactuca sativa cv. Nigra (lettuce) at 0.1 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 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 after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of shoot length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Inhibition of germination of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 20.0 %
Inhibition of root length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Inhibition of shoot length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Inhibition of germination of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of root length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of shoot length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Inhibition of germination of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of root length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of shoot length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Inhibition of germination of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of root length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of shoot length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Inhibition of germination of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Inhibition of root length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Stimulation of shoot length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Stimulation of root length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Stimulation of shoot length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of germination of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 40.0 %
Stimulation of root length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of germination of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum 40.0 %
Stimulation of root length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of shoot length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of germination of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 40.0 %
Stimulation of shoot length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of root length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of germination of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 40.0 %
Stimulation of shoot length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Stimulation of root length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 40.0 %
Stimulation of shoot length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of germination of Lepidium sativum at 0.1 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 after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of germination of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of shoot length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of root length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %
Stimulation of germination of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 40.0 %

Cross References

Resources Reference
ChEMBL CHEMBL480480
PubChem 301929
SureChEMBL SCHEMBL7497165
CONTENTS