PROLINE

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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 ONIBWKKTOPOVIA-UHFFFAOYSA-N
Smiles OC(=O)C1CCCN1
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO2
Molecular Weight 115.13
AlogP -2.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.33
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 8.0
Assay Description Organism Bioactivity Reference
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in glucanase activity at 100 mM sprayed on seeds by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in chitinase activity at 100 mM sprayed on seeds by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in glucanase activity at 100 mM sprayed on leaves of 3 weeks old seedlings by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance in Brassica oleracea (white cabbage) plants assessed as increase in chitinase activity at 100 mM sprayed on leaves of 3 weeks old seedlings by colorimetric assay Brassica oleracea None
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 25 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 88.4 %
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 50 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 75.8 %
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 100 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 59.3 %
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 2.5 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 99.2 %
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 10 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 96.4 %
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area at 5 mM sprayed on leaves of one week old seedlings relative to untreated control Hyaloperonospora parasitica 99.0 %

Cross References

Resources Reference
ChEMBL CHEMBL72275
PubChem 25246272
SureChEMBL SCHEMBL2939
CONTENTS