(41R,5AR,6AR,7S,10AS)-7,10A-DIMETHYL-2-OXO-2,4,5A,6,6A,7,8,9,10,10A-DECAHYDROBENZO[F]OXIRENO[2,3-I]ISOCHROMENE-7-CARBOXYLIC ACID

/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 WTKBBGKFHROQGZ-VEVAPSHJSA-N
Smiles C[C@@]1(CCC[C@@]2(C)[C@H]1C[C@H]3O[C@]34COC(=O)C=C24)C(=O)O
InChI
InChI=1S/C16H20O5/c1-14-4-3-5-15(2,13(18)19)9(14)6-11-16(21-11)8-20-12(17)7-10(14)16/h7,9,11H,3-6,8H2,1-2H3,(H,18,19)/t9-,11-,14+,15+,16+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20O5
Molecular Weight 292.33
AlogP 1.79
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 76.13
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Inhibition of germination of Hordeum vulgare (barley) at 10 nM after 5 days relative to untreated control Hordeum vulgare -72.0 %
Inhibition of shoot length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare None
Inhibition of germination of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Inhibition of root length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Inhibition of shoot length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Inhibition of germination of Lactuca sativa cv. Roman (lettuce) at 0.1 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 after 5 days relative to untreated control Lactuca sativa None
Inhibition of shoot length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Inhibition of germination of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum None
Inhibition of root length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 20.0 %
Inhibition of shoot length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 20.0 %
Inhibition of germination of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum None
Inhibition of root length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 20.0 %
Inhibition of shoot length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 20.0 %
Inhibition of germination of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa None
Inhibition of root length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa None
Inhibition of shoot length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 20.0 %
Inhibition of germination of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum None
Inhibition of root length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum None
Inhibition of shoot length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum None
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 20.0 %
Stimulation of shoot length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare None
Stimulation of root length of Hordeum vulgare (barley) at 0.1 mM after 5 days relative to untreated control Hordeum vulgare 20.0 %
Stimulation of shoot length of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum None
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 None
Stimulation of germination of Triticum aestivum (wheat) at 0.1 mM after 5 days relative to untreated control Triticum aestivum None
Stimulation of root length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa None
Stimulation of shoot length of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa 20.0 %
Stimulation of germination of Allium cepa (onion) at 0.1 mM after 5 days relative to untreated control Allium cepa None
Stimulation of shoot length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 20.0 %
Stimulation of root length of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum 20.0 %
Stimulation of germination of Solanum lycopersicum (tomato) at 0.1 mM after 5 days relative to untreated control Solanum lycopersicum None
Stimulation of shoot length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 20.0 %
Stimulation of root length of Lepidium sativum at 0.1 mM after 5 days relative to untreated control Lepidium sativum 20.0 %
Stimulation of shoot length of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Stimulation of germination of Lepidium sativum at 0.1 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 after 5 days relative to untreated control Lactuca sativa None
Stimulation of germination of Lactuca sativa cv. Roman (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Stimulation of shoot length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Stimulation of root length of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %
Stimulation of germination of Lactuca sativa cv. Nigra (lettuce) at 0.1 mM after 5 days relative to untreated control Lactuca sativa 20.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2269809
PubChem 76323248
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