4-PHENYL-3-BUTENOIC 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 PSCXFXNEYIHJST-QPJJXVBHSA-N
Smiles OC(=O)C\C=C\c1ccccc1
InChI
InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2
Molecular Weight 162.19
AlogP 1.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.29
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
In vitro antifungal activity against Magnaporthe grisea on eight-leaf stage rice plant assessed as reduction of blast disease at 10 to 500 ug/mL Magnaporthe grisea None
In vitro antifungal activity against Colletotrichum orbiculare on two-leaf stage cucumber plant assessed as inhibition of anthracnose development at 500 ug/mL Colletotrichum orbiculare None
In vitro antifungal activity against Colletotrichum orbiculare on two-leaf stage cucumber plant assessed as inhibition of anthracnose development at 100 ug/mL Colletotrichum orbiculare None
Antibacterial activity against Xanthomonas vesicatoria assessed as inhibition of microbial growth by microtiter broth dilution method Xanthomonas vesicatoria 10.0 ug.mL-1
Antibacterial activity against Ralstonia solanacearum assessed as inhibition of microbial growth by microtiter broth dilution method Ralstonia solanacearum 0.5 ug.mL-1
Antibacterial activity against Pectobacterium carotovorum subsp. carotovorum assessed as inhibition of microbial growth by microtiter broth dilution method Pectobacterium carotovorum subsp. carotovorum 1.0 ug.mL-1
Antibacterial activity against Bacillus subtilis subsp. subtilis assessed as inhibition of microbial growth by microtiter broth dilution method Bacillus subtilis subsp. subtilis 3.0 ug.mL-1
Antifungal activity against Saccharomyces cerevisiae assessed as inhibition of microbial growth by microtiter broth dilution method Saccharomyces cerevisiae 100.0 ug.mL-1
Antifungal activity against Candida albicans assessed as inhibition of microbial growth by microtiter broth dilution method Candida albicans 100.0 ug.mL-1
Antifungal activity against Rhizoctonia solani assessed as inhibition of microbial growth by microtiter broth dilution method Rhizoctonia solani 30.0 ug.mL-1
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of microbial growth by microtiter broth dilution method Sclerotinia sclerotiorum 100.0 ug.mL-1
Antifungal activity against Pythium ultimum assessed as inhibition of microbial growth by microtiter broth dilution method Pythium ultimum 0.5 ug.mL-1
Antifungal activity against Phytophthora capsici assessed as inhibition of microbial growth by microtiter broth dilution method Phytophthora capsici 30.0 ug.mL-1
Antifungal activity against Magnaporthe grisea assessed as inhibition of microbial growth by microtiter broth dilution method Magnaporthe grisea 10.0 ug.mL-1
Antifungal activity against Fusarium oxysporum f. sp. lycopersici assessed as inhibition of microbial growth by microtiter broth dilution method Fusarium oxysporum f. sp. lycopersici 100.0 ug.mL-1
Antifungal activity against Ilyonectria radicicola assessed as inhibition of microbial growth by microtiter broth dilution method Ilyonectria radicicola 30.0 ug.mL-1
Antifungal activity against Colletotrichum orbiculare assessed as inhibition of microbial growth by microtiter broth dilution method Colletotrichum orbiculare 3.0 ug.mL-1
Antifungal activity against Botryotinia fuckeliana assessed as inhibition of microbial growth by microtiter broth dilution method Botryotinia fuckeliana 100.0 ug.mL-1
Antifungal activity against Cladosporium cucumerinum assessed as inhibition of microbial growth by microtiter broth dilution method Cladosporium cucumerinum 30.0 ug.mL-1
Antifungal activity against Alternaria mali assessed as inhibition of microbial growth by microtiter broth dilution method Alternaria mali 30.0 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2269608
PubChem 5370625
SureChEMBL SCHEMBL2148302
CONTENTS