METHYLEUGENOL

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Synonyms
UNII 29T9VA6R7M
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 ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Smiles COc1ccc(CC=C)cc1OC
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14O2
Molecular Weight 178.23
AlogP 2.81
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 13.0
Assay Description Organism Bioactivity Reference
Acaricidal activity against Dermatophagoides pteronyssinus assessed as mortality at 25.5 ug/cm2 applied as fumes in open container after 24 hr by fabric disk assay relative to untreated control Dermatophagoides pteronyssinus 9.0 %
Acaricidal activity against Dermatophagoides pteronyssinus assessed as mortality at 25.5 ug/cm2 applied as fumes in closed container after 24 hr by fabric disk assay relative to untreated control Dermatophagoides pteronyssinus 100.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 25.5 ug/cm2 applied as fumes in open container after 24 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 5.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 25.5 ug/cm2 applied as fumes in closed container after 24 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 100.0 %
Acaricidal activity against Dermatophagoides pteronyssinus assessed as mortality at 0.8 to 1.2 ug/cm2 after 24 to 72 hr by fabric disk assay relative to untreated control Dermatophagoides pteronyssinus None
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 0.8 ug/cm2 after 72 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 41.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 1.2 ug/cm2 after 72 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 71.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 1.2 ug/cm2 after 48 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 71.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 0.8 ug/cm2 after 24 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 35.0 %
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 1.2 ug/cm2 after 24 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 71.0 %
Ratio of benzyl benzoate LD50 to compound LD50 for Dermatophagoides pteronyssinus Dermatophagoides pteronyssinus 9.8
Acaricidal activity against Dermatophagoides pteronyssinus after 24 hr by fabric disk assay Dermatophagoides pteronyssinus 0.67 microg/cm2
Ratio of benzyl benzoate LD50 to compound LD50 for Dermatophagoides farinae Dermatophagoides farinae 9.8
Acaricidal activity against Dermatophagoides farinae after 24 hr by fabric disk assay Dermatophagoides farinae 0.94 microg/cm2
Acaricidal activity against Dermatophagoides farinae assessed as mortality at 0.8 ug/cm2 after 48 hr by fabric disk assay relative to untreated control Dermatophagoides farinae 39.0 %
Toxicity against third-instar larval stage of Trichoplusia ni (cabbage looper) assessed as mortality at 0.25% after 24 hr by contact toxicity bioassay Trichoplusia ni 41.0 %
Oviposition deterrent activity against adult female Trichoplusia ni (cabbage looper) moths introduced along with male moths into oviposition cage containing compound pretreated cabbage leaves assessed as eggs laying on the leaf disks at 0.25% after 48 hr Trichoplusia ni -22.0 %
Feeding deterrent activity against freshly molted third-instar larval stage of Trichoplusia ni (cabbage looper) in compound pretreated cabbage leaves after 3 to 5 hr by leaf disk choice bioassay Trichoplusia ni 26.0 microg/cm2
Feeding deterrent activity against freshly molted third-instar larval stage of Trichoplusia ni (cabbage looper) in compound pretreated cabbage leaves at 50 ug/cm2 after 3 to 5 hr by leaf disk choice bioassay Trichoplusia ni 64.0 %
Induction of changes in hyphae ultrastructures in Phytophthora cactorum assessed as endoplasmic reticulum structure changes at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Induction of changes in hyphae ultrastructures in Phytophthora cactorum assessed as mitochondria level changes at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Induction of changes in hyphae ultrastructures in Phytophthora cactorum assessed as membranes obscuring at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Induction of changes in hyphae ultrastructures in Phytophthora cactorum assessed as cell wall thickening at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Induction of changes in hyphae ultrastructures in Phytophthora cactorum assessed as plasmalemma invagination at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Induction of changes in hyphae ultrastructures in Phytophthora cactorum at 0.052 ug/ml by transmission electron microscopy Phytophthora cactorum None
Growth inhibition of Fusarium solani after 48 hr Fusarium solani None
Growth inhibition of Alternaria humicola after 48 hr Alternaria humicola 0.144 ug.mL-1
Growth inhibition of Colletotrichum gloeosporioides after 48 hr Colletotrichum gloeosporioides 0.09 ug.mL-1
Growth inhibition of Rhizoctonia solani after 48 hr Rhizoctonia solani 0.279 ug.mL-1
Growth inhibition of Phytophthora cactorum after 48 hr Phytophthora cactorum 0.052 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL108861
FDA SRS 29T9VA6R7M
SureChEMBL SCHEMBL113794
ZINC ZINC00388674
CONTENTS