VICOLIDE A


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	AECULMKGNBGPKV-AYTVTPGNSA-N
Smiles	C\C=C(\C)/C(=O)O[C@@H]1[C@H](C)[C@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H]1O)C(=CC2=O)C
InChI	InChI=1S/C20H24O6/c1-6-8(2)19(23)25-17-10(4)14-12(21)7-9(3)13(14)18-15(16(17)22)11(5)20(24)26-18/h6-7,10,13-18,22H,5H2,1-4H3/b8-6-/t10-,13+,14-,15-,16-,17-,18-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H24O6
Molecular Weight	360.4
AlogP	2.43
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	89.9
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	26.0

Assay Description	Organism	Bioactivity
Antifeedant activity against moulted fifth larval stage of Olepa ricini infested on castor leaves assessed as feeding deterrence index at 0.2 ppm by leaf disk assay relative to control	Olepa ricini	6.17 %
Antifeedant activity against moulted fifth larval stage of Olepa ricini infested on castor leaves assessed as feeding deterrence index at 2 ppm by leaf disk assay relative to control	Olepa ricini	13.35 %
Antifeedant activity against moulted fifth larval stage of Olepa ricini infested on castor leaves assessed as feeding deterrence index at 20 ppm by leaf disk assay relative to control	Olepa ricini	22.28 %
Antifeedant activity against moulted fifth larval stage of Olepa ricini infested on castor leaves assessed as feeding deterrence index at 200 ppm by leaf disk assay relative to control	Olepa ricini	29.66 %
Antifeedant activity against moulted fifth larval stage of Olepa ricini infested on castor leaves assessed as feeding deterrence index at 2000 ppm by leaf disk assay relative to control	Olepa ricini	42.86 %
Antifeedant activity against moulted fifth larval stage of Euproctis fraterna infested castor leaves assessed as feeding deterrence index at 0.2 ppm by leaf disk assay relative to control	Euproctis fraterna	8.43 %
Antifeedant activity against moulted fifth larval stage of Euproctis fraterna infested castor leaves assessed as feeding deterrence index at 2 ppm by leaf disk assay relative to control	Euproctis fraterna	8.99 %
Antifeedant activity against moulted fifth larval stage of Euproctis fraterna infested castor leaves assessed as feeding deterrence index at 20 ppm by leaf disk assay relative to control	Euproctis fraterna	15.33 %
Antifeedant activity against moulted fifth larval stage of Euproctis fraterna infested castor leaves assessed as feeding deterrence index at 200 ppm by leaf disk assay relative to control	Euproctis fraterna	15.33 %
Antifeedant activity against moulted fifth larval stage of Euproctis fraterna infested castor leaves assessed as feeding deterrence index at 2000 ppm by leaf disk assay relative to control	Euproctis fraterna	15.06 %

Cross References

Resources	Reference
ChEMBL	CHEMBL2269926

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).