PULEGONE

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UNII 4LF2673R3G
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 NZGWDASTMWDZIW-MRVPVSSYSA-N
Smiles C[C@@H]1CCC(=C(C)C)C(=O)C1
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.23
AlogP 2.89
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 24 hr assessed as reduction in larval motility Meloidogyne incognita 150.0 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 48 hr assessed as reduction in larval motility Meloidogyne incognita 117.0 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) larvae immersed in compound solution for 96 hr assessed as reduction in larval motility Meloidogyne incognita 117.0 ug.mL-1
Nematicidal activity against Meloidogyne javanica J2 (root-knot nematode) larvae immersed in compound solution for 48 hr assessed as reduction in larval motility Meloidogyne javanica 0.205 uL/ml
Insecticidal activity against Sitophilus granarius (granary weevil) assessed as mortality Sitophilus granarius 90.0 %
Insecticidal activity against Frankliniella occidentalis (western flower thrips) assessed as mortality at 1 ul/45mL Frankliniella occidentalis 100.0 %
Antifungal activity against Aspergillus flavus assessed as inhibition of mycelial growth measured after 72 hr at 0.8 mg/mL at 28 +/- 1 degC Aspergillus flavus None
Toxicity to Musca domestica (house fly) applied to pronotum assessed as compound level per fly causing insect mortality measured after 24 hr Musca domestica 92.2 ug
Displacement of [3H]TBOB binding to GABA receptor in Musca domestica (house fly) heads homogenates assessed as [3H]TBOB binding at 500 uM incubated for 90 min by scintillation counting method Musca domestica 132.0 %
Phytotoxicity against Zea mays (maize) seeds assessed as germination rate at 25 degC after 5-6 days by standard vigour method Zea mays None
Phytotoxicity against Zea mays (maize) seeds assessed as germination rate at 10 degC after 7 days by standard vigour method Zea mays None
Bird repellent activity against Columba livia f. domestica assessed as decrease in damage of maize seedlings grown from compound-treated seeds at 1.4 ml/kg measured in the field at 2 to 16 days after germination during field trials Columba livia None
Bird repellent activity against Columba livia f. domestica assessed as decrease in damage of maize seedlings grown from compound-treated seeds at 1.4 ml/kg measured after 3 days exposure during aviary trials Columba livia None
Bird repellent activity against Columba livia f. domestica fed with compound treated maize seeds assessed as feeding deterrence activity at 1.4 ml/kg measured for 4 days by aviary food choice trials Columba livia None

Cross References

Resources Reference
ChEMBL CHEMBL2924219
FDA SRS 4LF2673R3G
PubChem 442495
SureChEMBL SCHEMBL38305
ZINC ZINC05735752
CONTENTS