TURMERONE

/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 FZPYMZUVXJUAQA-ZDUSSCGKSA-N
Smiles C[C@@H](CC(=O)C=C(C)C)C1=CCC(=CC1)C
InChI
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13H,6-7,10H2,1-4H3/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22O
Molecular Weight 218.33
AlogP 4.27
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 500 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Blumeria graminis infected first-leaf stage of barley plant at 1000 mg/l applied as spray under green house conditions relative to control Blumeria graminis 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 500 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Puccinia recondita infected first leaf stage of wheat plant at 1000 mg/l applied as spray after 10 days under green house conditions relative to control Puccinia recondita 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 500 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Phytophthora infestans infected second leaf-stage of tomato plant at 1000 mg/l applied as spray after 4 days under green house conditions relative to control Phytophthora infestans 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 500 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected first-leaf stage of cucumber plant at 1000 mg/l applied as spray after 4 to 5 days under green house conditions relative to control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Rhizoctonia solani infected in third leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Rhizoctonia solani 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 500 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea infected second leaf stage of rice plant at 1000 mg/l applied as spray after 5 days under green house conditions relative to control Magnaporthe grisea 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2272665
PubChem 14367555
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