PIPERETTINE

/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 MIWPBXQTBYPJEF-XBXARRHUSA-N
Smiles O=C(CCCC\C=C\c1ccc2OCOc2c1)N3CCCCC3
InChI
InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25NO3
Molecular Weight 315.41
AlogP 3.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 38.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Blumeria graminis infected barley assessed as reduction in powdery mildew disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Blumeria graminis 40.0 %
Fungicidal activity against Blumeria graminis infected barley assessed as reduction in powdery mildew disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Blumeria graminis 60.0 %
Fungicidal activity against Puccinia recondita infected wheat assessed as reduction in wheat leaf rust disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Puccinia recondita 0.0 %
Fungicidal activity against Puccinia recondita infected wheat assessed as reduction in wheat leaf rust disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Puccinia recondita 0.0 %
Fungicidal activity against Phytophthora infestans infected tomato assessed as reduction in tomato late blight disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Phytophthora infestans 0.0 %
Fungicidal activity against Phytophthora infestans infected tomato assessed as reduction in tomato late blight disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Phytophthora infestans 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected cucumber assessed as reduction in cucumber gray mold disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Botryotinia fuckeliana infected cucumber assessed as reduction in cucumber gray mold disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Botryotinia fuckeliana 0.0 %
Fungicidal activity against Rhizoctonia solani infected rice assessed as reduction in rice sheath blight disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Rhizoctonia solani 0.0 %
Fungicidal activity against Rhizoctonia solani infected rice assessed as reduction in rice sheath blight disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Rhizoctonia solani 0.0 %
Fungicidal activity against Magnaporthe grisea infected rice assessed as reduction in rice blast disease at 500 mg/l applied for 1 day prior to infection relative to untreated control Magnaporthe grisea 0.0 %
Fungicidal activity against Magnaporthe grisea infected rice assessed as reduction in rice blast disease at 1000 mg/l applied for 1 day prior to infection relative to untreated control Magnaporthe grisea 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL1086887
PubChem 11141599
ZINC ZINC13838497
CONTENTS