BETA-AMINOBUTYRIC ACID

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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 OQEBBZSWEGYTPG-UHFFFAOYSA-N
Smiles CC(N)CC(=O)O
InChI
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO2
Molecular Weight 103.12
AlogP -3.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 63.31
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0
Assay Description Organism Bioactivity Reference
Phytotoxicity in Cucurbita pepo (pumpkin) assessed as effect on host weight and height under greenhouse condition at 50 ug/ml Cucurbita pepo None
Toxicity in Cucurbita pepo (pumpkin) assessed as effect on host weight and height under greenhouse condition at 25 to 50 ug/ml Cucurbita pepo None
Insecticidal activity against Phytophthora capsici in Cucurbita pepo assessed as effect on host weight and height under greenhouse condition at 25 to 50 ug/ml Phytophthora capsici None
Insecticidal activity against 10'3 spores/ml of Phytophthora capsici in Cucurbita pepo assessed as reduction of disease severity under greenhouse condition at 25 to 50 ug/ml applied as foliar spray after 1 week Phytophthora capsici None
Insecticidal activity against Phytophthora capsici in Cucurbita pepo assessed as reduction of disease severity under greenhouse condition at 25 to 50 ug/ml after 1 week Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of sporangium production at 25 to 1000 ug/ml after 4 days Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of zoospore germination at 25 to 1000 ug/ml after 4 days with 16 hr photoperiod Phytophthora capsici None
Insecticidal activity against Phytophthora capsici assessed as inhibition of mycelial growth by measuring perpendicular colony diameter at 25 to 2000 ug/ml after 8 days Phytophthora capsici None
Antifungal activity against Saccharomyces cerevisiae 58W3D4 assessed as reduction of doubling time at 0.001 to 100 mM Saccharomyces cerevisiae None
Antifungal activity against Saccharomyces cerevisiae BW15 assessed as reduction of doubling time at 0.001 to 100 mM Saccharomyces cerevisiae None
Antifungal activity against Saccharomyces cerevisiae FL100 ATCC 28383 assessed as reduction of doubling time at > 10 mM Saccharomyces cerevisiae FL100 None
Antifungal activity against Botryotinia fuckeliana T4 assessed as inhibition of spore germination after 5 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana T4 assessed as inhibition of mycelial growth 2.4 mM at pH 7 after 5 days Botryotinia fuckeliana 40.0 %
Antifungal activity against Botryotinia fuckeliana T4 assessed as inhibition of mycelial growth after 5 days Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana T4 assessed as inhibition of mycelial growth 2.4 mM at pH 4 after 5 days Botryotinia fuckeliana 100.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 2000 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 80.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 50 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 46.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 100 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 54.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 500 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 72.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 1000 ug/mL compound through irrigation based soil treatment followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 80.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 2000 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 65.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 50 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 100 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 30.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 500 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 50.0 %
Induction of systemic acquired resistance against Tobacco mosaic virus (TMV) in tobacco plants exposed to 1000 ug/mL compound through leaf spray followed by 7 days culture under green house conditions assessed as inhibition of viral growth in leaves infected with Tobacco mosaic virus (TMV) measured 72 hr post viral infection by half-leaf juice rubbing method Tobacco mosaic virus 55.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 2000 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 8.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 2000 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 5.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 1000 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 50 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 1000 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 10.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 500 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 5.0 %
In vivo antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 100 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 9.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 500 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 7.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 100 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 4.0 %
Antiviral activity against Tobacco mosaic virus (TMV) infected tobacco leaves exposed to 50 ug/mL for 20 min assessed as inhibition of viral growth measured 72 hr post compound treatment compound by half-leaf juice rubbing method Tobacco mosaic virus 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL1995111
PubChem 10932
SureChEMBL SCHEMBL44574
CONTENTS