FERULIC ACID

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Synonyms
UNII AVM951ZWST
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 KSEBMYQBYZTDHS-HWKANZROSA-N
Smiles COc1cc(\C=C\C(=O)O)ccc1O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O4
Molecular Weight 194.18
AlogP 1.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Nematotoxic activity against freshly hatched Meloidogyne incognita J2 (root-knot nematode) isolated from tomato roots assessed as induction of nematode paralysis measured 24 hr after immersion in compound test solutions Meloidogyne incognita 1000.0 ug.mL-1
Antifungal activity against Phaeomoniella chlamydospora assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Phaeomoniella chlamydospora 1.4
Antifungal activity against Diplodia seriata BoF98-1 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia seriata BoF99-1 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia seriata LAT28 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Lasiodiplodia theobromae CBS116460 assessed as growth inhibition measured after 1 to 10 days Lasiodiplodia theobromae 24.0 %
Antifungal activity against Diplodia seriata PLU03 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia mutila BRA08 assessed as growth inhibition measured after 1 to 10 days Diplodia mutila 24.0 %
Antifungal activity against Neofusicoccum luteum CBS110299 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum luteum 14.0 %
Antifungal activity against Neofusicoccum parvum PER20 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum parvum 14.0 %
Antifungal activity against Neofusicoccum parvum Bp0014 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum parvum 14.0 %
Antifungal activity against Botryosphaeria dothidea OGE14 assessed as growth inhibition measured after 1 to 10 days relative to control Botryosphaeria dothidea 14.0 %
Antifungal activity against Eutypa lata BX1-10 assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Eutypa lata 2.2
Antifungal activity against Neofusicoccum parvum assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Neofusicoccum parvum 1.5
Antifungal activity against Diplodia seriata assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Diplodia seriata 1.6
Antifungal activity against Togninia minima SO21 assessed as susceptibility at 500 uM measured after 1 to 10 days Togninia minima None
Increase in lignin content in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment Pisum sativum None
Reduction in PAL activity in Pisum sativum (pea) roots at 1 MM added to nutrient medium measured 7 days post onset of compound treatment Pisum sativum None
Increase in quinate content in Pisum sativum (pea) leaves at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by ion chromatography Pisum sativum None
Induction of ADH protein enzyme expression in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by immunoblot Pisum sativum None
Induction of PDC protein expression in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by immunoblot Pisum sativum None
Increase in starch content in Pisum sativum (pea) leaves at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by capillary electrophoresis method Pisum sativum None
Increase in soluble sugars content in Pisum sativum (pea) leaves at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by capillary electrophoresis method Pisum sativum None
Effect on starch content in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by capillary electrophoresis method Pisum sativum None
Effect on sucrose content in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by capillary electrophoresis method Pisum sativum None
Growth inhibition in Pisum sativum (pea) assessed as shoot growth arrest at 1 mM added to nutrient medium measured within 10 days post onset of compound treatment Pisum sativum None
Growth inhibition in Pisum sativum (pea) assessed as root elongation arrest at 1 mM added to nutrient medium measured within 1 day post onset of compound treatment Pisum sativum None
Drug level in Pisum sativum (pea) leaves at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by HPLC method Pisum sativum None
Drug level in Pisum sativum (pea) roots at 1 mM added to nutrient medium measured 5 to 15 days post onset of compound treatment by HPLC method Pisum sativum None
Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and measured after 10 min by spectrophotometry Saccharomyces cerevisiae 300000.0 nM
Antioxidant activity against AAPH-induced hemolysis in Homo sapiens (human) RBC assessed as inhibition time at 10 uM by spectrophotometry Homo sapiens 148.0 min
Antioxidant activity assessed as DPPH scavenging activity after 30 min by UV-vis spectroscopy None 50130.0 nM
Antimicrobial activity against Athelia rolfsii assessed as growth inhibition at 100 ppm by agar dilution method Athelia rolfsii 54.0 %
Antimicrobial activity against Pythium sp. assessed as growth inhibition at 100 ppm by agar dilution method Pythium 48.0 %
Antibacterial activity against Ralstonia solanacearum grown on potato semi-synthetic agar medium at 5 umol/disk by paper disk method Ralstonia solanacearum None
Antibacterial activity against Ralstonia solanacearum grown on potato semi-synthetic agar medium at 0.5 umol/disk by paper disk method Ralstonia solanacearum None
Decrease in Botryosphaeria dothidea ligninolytic enzyme production assessed as pectinase activity using pectin as substrate at 1 mM measured at 28 degC after 4 days Botryosphaeria dothidea None
Decrease in Neofusicoccum ribis ligninolytic enzyme production assessed as pectinase activity using pectin as substrate measured at 28 degC after 4 days Neofusicoccum ribis None
Decrease in Lasiodiplodia theobromae ligninolytic enzyme production assessed as pectinase activity using pectin as substrate at 25 mM measured at 28 degC after 4 days Lasiodiplodia theobromae 57.0 %
Decrease in Botryosphaeria dothidea ligninolytic enzyme production assessed as laccase activity using ABTS as substrate at 5 mM measured at 28 degC after 4 days Botryosphaeria dothidea 90.0 %
Decrease in Botryosphaeria dothidea ligninolytic enzyme production assessed as laccase activity using ABTS as substrate measured at 28 degC after 4 days Botryosphaeria dothidea None
Decrease in Lasiodiplodia theobromae ligninolytic enzyme production assessed as laccase activity using ABTS as substrate at 1 mM measured at 28 degC after 4 days Lasiodiplodia theobromae 82.0 %
Decrease in Neofusicoccum ribis ligninolytic enzyme production assessed as laccase activity using ABTS as substrate at 1 mM measured at 28 degC after 4 days Neofusicoccum ribis 82.0 %
Decrease in Lasiodiplodia theobromae mycelium biomass production measured at 28 degC after 4 days by gravimetric analysis Lasiodiplodia theobromae 58.0 %
Decrease in Diplodia seriata (Schwein.) Shoemaker mycelium biomass production measured at 28 degC after 4 days by gravimetric analysis Diplodia seriata 58.0 %
Inhibition of Diplodia seriata (Schwein.) Shoemaker mycelium growth at 15 mM measured at 28 degC after 4 days Diplodia seriata None
Inhibition of Neofusicoccum ribis mycelium growth at 25 mM measured at 28 degC after 4 days Neofusicoccum ribis 74.0 %
Inhibition of Lasiodiplodia theobromae mycelium growth at 25 mM measured at 28 degC after 4 days Lasiodiplodia theobromae 81.0 %
Inhibition of Lasiodiplodia theobromae mycelium growth measured at 28 degC after 4 days Lasiodiplodia theobromae 5000000.0 nM
Inhibition of Neofusicoccum ribis mycelium growth measured at 28 degC after 4 days Neofusicoccum ribis 5000000.0 nM
Inhibition of Diplodia seriata (Schwein.) Shoemaker mycelium growth measured at 28 degC after 4 days Diplodia seriata 5000000.0 nM
Inhibition of Botryosphaeria dothidea mycelium growth measured at 28 degC after 4 days Botryosphaeria dothidea 5000000.0 nM
Antimicrobial activity against Streptococcus pyogenes 10535 assessed as growth inhibition after 24 hr by serial dilution method Streptococcus pyogenes 125.0 ug.mL-1
Antimicrobial activity against Staphylococcus aureus 209 assessed as growth inhibition after 24 hr by serial dilution method Staphylococcus aureus 125.0 ug.mL-1
Inhibition of autoxidation of pure triacylglycerols of sunflower oil at 1 mM by iodometric analysis None None
Antioxidant activity assessed as DPPH radical scavenging activity at 3.6 mM after 20 min None 44.32 %
Antioxidant activity assessed as DPPH radical scavenging activity at 3.6 mM after 10 min None 36.71 %
Antioxidant activity assessed as DPPH radical scavenging activity at 1.8 mM after 20 min None 25.1 %
Antioxidant activity assessed as DPPH radical scavenging activity at 0.9 mM after 20 min None 13.81 %
Antioxidant activity assessed as DPPH radical scavenging activity at 1.8 mM after 10 min None 21.02 %
Antioxidant activity assessed as DPPH radical scavenging activity at 0.9 mM after 10 min None 12.64 %

Cross References

Resources Reference
ChEMBL CHEMBL32749
FDA SRS AVM951ZWST
PDB FER
PubChem 445858
SureChEMBL SCHEMBL15673
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