CIS-3-HEXENOL

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Molecule Category Free-form
UNII V14F8G75P4
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 UFLHIIWVXFIJGU-ARJAWSKDSA-N
Smiles CC\C=C/CCO
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O
Molecular Weight 100.16
AlogP 1.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 7.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth measured after 5 days of cultivation Colletotrichum camelliae 2125.0 ug.mL-1
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 2000 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 79.6 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1500 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 74.1 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 1000 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 61.1 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 500 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 44.4 %
Antifungal activity against Colletotrichum camelliae assessed as inhibition of mycelial growth at 100 ug/mL measured after 5 days of cultivation Colletotrichum camelliae 42.6 %
Antifungal activity against Colletotrichum acutatum assessed as inhibition of microcyclic conidiation at 25 degC measured after 4 to 24 hr Colletotrichum acutatum 337.84 uL/L
Antifungal activity against Colletotrichum acutatum assessed as inhibition of pore appressorial formation at 25 degC measured after 4 to 24 hr Colletotrichum acutatum 135.13 uL/L
Antifungal activity against Colletotrichum acutatum assessed as inhibition of appressorium pigmentation at 25 degC measured after 4 to 24 hr Colletotrichum acutatum 135.13 uL/L
Antifungal activity against Colletotrichum acutatum assessed as inhibition of appressorium formation at 25 degC measured after 4 to 24 hr Colletotrichum acutatum 337.84 uL/L
Antifungal activity against Colletotrichum acutatum assessed as inhibition of germination at 25 degC measured after 4 to 24 hr Colletotrichum acutatum 337.84 uL/L
Antifungal activity against Colletotrichum acutatum assessed as inhibition of mycelial growth at 25 degC measured after 8 days Colletotrichum acutatum 230.14 uL/L Antifungal activity against Colletotrichum acutatum assessed as inhibition of mycelial growth at 25 degC measured after 8 days Colletotrichum acutatum 595.0 uL/L Antifungal activity against Colletotrichum acutatum assessed as inhibition of mycelial growth at 25 degC measured after 8 days Colletotrichum acutatum 640.54 uL/L
Induction of response in mated female Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 45.0 %
Induction of response in mated female Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 40.0 %
Induction of response in unmated female Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 20.0 %
Induction of response in unmated female Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 10.0 %
Induction of response in mated male Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 20.0 %
Induction of response in mated male Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 15.0 %
Induction of response in unmated male Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 80.0 %
Induction of response in unmated male Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL in presence of synthetic pheromone measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 85.0 %
Induction of response in mated female Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 40.0 %
Induction of response in mated female Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 40.0 %
Induction of response in unmated female Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 15.0 %
Induction of response in unmated female Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 10.0 %
Induction of response in mated male Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 10.0 %
Induction of response in mated male Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 0.0 %
Induction of response in unmated male Plutella xylostella (diamondback moth) assessed as landing moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 0%) Plutella xylostella 15.0 %
Induction of response in unmated male Plutella xylostella (diamondback moth) assessed as flying moth level at 10 uL measured after 10 min by wind tunnel bioassays (Rvb hexane = 5%) Plutella xylostella 25.0 %
Antimicrobial activity against Escherichia coli O157:H7 ATCC 43894 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Escherichia coli O157:H7 41.0 %
Antimicrobial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Staphylococcus aureus 21.6 %
Antimicrobial activity against Listeria monocytogenes ATCC 19111 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Listeria monocytogenes 10.3 %
Antimicrobial activity against Vibrio parahaemolyticus ATCC 33844 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Vibrio parahaemolyticus 73.7 %
Antimicrobial activity against Salmonella enterica subsp. enterica serovar Typhimurium ATCC 14028 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Salmonella enterica subsp. enterica serovar Typhimurium 56.2 %
Antimicrobial activity against Bacillus cereus ATCC 11778 assessed as growth inhibition rate at 43.2 mg/l after 72 hr by spectrophotometry Bacillus cereus 14.3 %

Cross References

Resources Reference
ChEMBL CHEMBL2251452
FDA SRS V14F8G75P4
PubChem 5281167
SureChEMBL SCHEMBL112920
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