2-ALLYLPHENOL

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Synonyms
UNII O04F145ZJZ
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 QIRNGVVZBINFMX-UHFFFAOYSA-N
Smiles Oc1ccccc1CC=C
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O
Molecular Weight 134.18
AlogP 2.6
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Alternaria solani incubated as 10% EC formulation Alternaria solani 31.29 ug.mL-1
Antifungal activity against Passalora fulva incubated as 10% EC formulation Passalora fulva 52.22 ug.mL-1
Antifungal activity against Botryotinia fuckeliana incubated as 10% EC formulation Botryotinia fuckeliana 21.7 ug.mL-1
Fungistatic activity against Botryotinia fuckeliana grown in liquid medium assessed as increase in mycelium dry weight at 80 mg/L incubated for 24 hr prior to transferring mycelium to drug-free MYS medium measured after 12 hr Botryotinia fuckeliana 1.7
Fungistatic activity against Botryotinia fuckeliana grown in liquid medium assessed as increase in mycelium dry weight at 80 mg/L incubated for 24 hr prior to transferring mycelium to drug-free MYS medium measured after 6 hr Botryotinia fuckeliana 0.9
Fungicidal activity against Botryotinia fuckeliana grown in liquid medium assessed as inhibition of mycelial growth at 80 mg/L after 12 hr Botryotinia fuckeliana None
Fungicidal activity against Botryotinia fuckeliana grown in liquid medium assessed as inhibition of mycelial growth after 24 hr Botryotinia fuckeliana 25.4 ug.mL-1
Depletion of total adenylate pool in Botryotinia fuckeliana mycelium at 80 mg/L after 24 to 48 hr by reverse phase HPLC analysis Botryotinia fuckeliana None
Depletion of ATP content in Botryotinia fuckeliana mycelium at 80 mg/L after 24 to 48 hr by reverse phase HPLC analysis Botryotinia fuckeliana None
Depletion of ATP content in Botryotinia fuckeliana mycelium at 80 mg/L after 6 hr by reverse phase HPLC analysis Botryotinia fuckeliana 70.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as rate of oxygen consumption at 100 mg/L by Clark-type oxygen electrode recording analysis in presence of succinate and 2 mM mitochondrial alternative oxidase inhibitor, SHAM Botryotinia fuckeliana 100.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as rate of oxygen consumption at 100 mg/L by Clark-type oxygen electrode recording analysis in presence of glucose and 2 mM mitochondrial alternative oxidase inhibitor, SHAM Botryotinia fuckeliana 100.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 100 mg/L by Clark-type oxygen electrode recording analysis in presence of succinate (Rvb = 0%) Botryotinia fuckeliana 48.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 100 mg/L by Clark-type oxygen electrode recording analysis in presence of glucose (Rvb = 0%) Botryotinia fuckeliana 46.0 %
Induction of respiratory activity in Botryotinia fuckeliana mycelium assessed as rate of oxygen consumption at 10 mg/L after 2 min by Clark-type oxygen electrode recording analysis Botryotinia fuckeliana 30.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as rate of oxygen consumption at 100 mg/L after 2 min by Clark-type oxygen electrode recording analysis Botryotinia fuckeliana 60.0 %
Induction of cyanide-resistant respiration in Magnaporthe grisea mycelium assessed as recovery of rate of oxygen consumption at 100 mg/L by oxygen electrode recording analysis in presence of 1 mM cytochrome-C oxidase inhibitor, KCN Magnaporthe grisea None
Induction of cyanide-resistant respiration in Magnaporthe grisea mycelium assessed as rate of oxygen consumption at 100 mg/L by oxygen electrode recording analysis in presence of 2 mM mitochondrial alternative oxidase inhibitor, SHAM Magnaporthe grisea None
Induction of cyanide-resistant respiration in Magnaporthe grisea mycelium assessed as recovery of rate of oxygen consumption at 100 mg/L after 3 to 36 hr by oxygen electrode recording analysis Magnaporthe grisea None
Fungicidal activity against Magnaporthe grisea grown on PDA medium assessed as inhibition of mycelial growth incubated for 4 to 7 days at 25 degC in presence of 10 mg/L mitochondrial alternative oxidase inhibitor, SHAM Magnaporthe grisea None
Fungicidal activity against Botryotinia fuckeliana grown on PDA medium assessed as inhibition of mycelial growth incubated for 4 to 7 days at 25 degC in presence of 10 mg/L mitochondrial alternative oxidase inhibitor, SHAM Botryotinia fuckeliana None
Fungicidal activity against Botryotinia fuckeliana grown on YgA medium assessed as inhibition of mycelial growth incubated for 4 days in the dark at 25 degC in presence of fermentable carbon source, glucose Botryotinia fuckeliana 22.9 ug.mL-1
Fungicidal activity against Botryotinia fuckeliana grown on YGA medium assessed as inhibition of mycelial growth incubated for 4 days in the dark at 25 degC in presence of non-fermentable carbon source, glycerol Botryotinia fuckeliana 7.1 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL1229950
FDA SRS O04F145ZJZ
PDB 2LP
PubChem 15624
SureChEMBL SCHEMBL160157
ZINC ZINC01576883
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