TOLCOFOS-METHYL


UNII	G42OQL6F5B
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 ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	OBZIQQJJIKNWNO-UHFFFAOYSA-N
Smiles	COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl
InChI	InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H11Cl2O3PS
Molecular Weight	301.13
AlogP	4.13
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	69.59
Molecular species	None
Aromatic Rings	1.0
Heavy Atoms	16.0

Reference

Journal : Ind Crops Prod

Title : Insecticidal, antifeedant and antifungal activities of two glucosides isolated from the seeds of Simmondsia chinensis

DOI : 10.1016/j.indcrop.2007.04.005

Year : 2007

Volume : 26

Issue : 3

First Page : 345

Last Page : 350

Authors : Abbassy MA, Abdelgaleil SAM, Belal ASH, Abdel Rasoula MAA.

Abstract : Insecticidal, antifeedant and antifungal activities of two glucosides isolated from the seeds of jojoba plant, Simmondsia chinensis (Link) Schneider, were tested. Bioassay-driven fractionations of the chloroform extract of the plant seeds over silica gel columns followed by recrystallization afforded two glucosides, simmondsin and simmondsin 2'-ferulate. The structure of these glucosides was confirmed by physico-chemical properties and spectroscopic analyses. In topical application assay, simmondsin and simmondsin 2'-ferulate showed a strong insecticidal activity against the third instar larvae of Spodoptera littoralis Boisduval (Lepidoptera: Noctuidae) with LD50 values of 1.49 and 2.58 μg/larva, respectively. Both compounds showed antifeedant activity against S. littoralis in a concentration-dependent manner. In addition, the isolated compounds showed moderate to high antifungal activity against four plant pathogenic fungi. This is the first study on the insecticidal, antifeedant and antifungal activities of these glucosides.

Reference

Journal : Ind Crops Prod

Title : Insecticidal, antifeedant and antifungal activities of two glucosides isolated from the seeds of Simmondsia chinensis

DOI : 10.1016/j.indcrop.2007.04.005

Year : 2007

Volume : 26

Issue : 3

First Page : 345

Last Page : 350

Authors : Abbassy MA, Abdelgaleil SAM, Belal ASH, Abdel Rasoula MAA.

Reference

Journal : Ind Crops Prod

Title : Insecticidal, antifeedant and antifungal activities of two glucosides isolated from the seeds of Simmondsia chinensis

DOI : 10.1016/j.indcrop.2007.04.005

Year : 2007

Volume : 26

Issue : 3

First Page : 345

Last Page : 350

Authors : Abbassy MA, Abdelgaleil SAM, Belal ASH, Abdel Rasoula MAA.

Reference

Journal : Ind Crops Prod

Title : Insecticidal, antifeedant and antifungal activities of two glucosides isolated from the seeds of Simmondsia chinensis

DOI : 10.1016/j.indcrop.2007.04.005

Year : 2007

Volume : 26

Issue : 3

First Page : 345

Last Page : 350

Authors : Abbassy MA, Abdelgaleil SAM, Belal ASH, Abdel Rasoula MAA.

Assay Description	Organism	Bioactivity
Antifungal activity against Fusarium oxysporum by radial growth inhibition method	Fusarium oxysporum	51.3 ug.mL-1
Antifungal activity against Pythium debaryanum by radial growth inhibition method	Pythium debaryanum	8.9 ug.mL-1
Antifungal activity against Botrytis fabae by radial growth inhibition method	Botrytis fabae	21.9 ug.mL-1
Antifungal activity against Rhizoctonia solani by radial growth inhibition method	Rhizoctonia solani	5.7 ug.mL-1

Cross References

Resources	Reference
ChEMBL	CHEMBL2141416
FDA SRS	G42OQL6F5B
PubChem	91664
SureChEMBL	SCHEMBL30367
ZINC	ZINC02555394

CONTENTS

Structure
Chemical and Physical Properties