PROPYLENE OXIDE


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	GOOHAUXETOMSMM-UHFFFAOYSA-N
Smiles	CC1CO1
InChI	InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H6O
Molecular Weight	58.08
AlogP	0.25
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	12.53
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	4.0

Assay Description	Organism	Bioactivity
Increase in Solanum lycopersicum (tomato) plant yield at 760 l/ha applied 12 days prior to transplantation measured after 12 to 14 weeks relative to untreated-control	Solanum lycopersicum	4.1
Increase in Solanum lycopersicum (tomato) plant yield at 960 l/ha applied 12 days prior to transplantation measured after 12 to 14 weeks relative to untreated-control	Solanum lycopersicum	3.5
Increase in Solanum lycopersicum (tomato) plant yield at 190 to 950 l/ha applied 12 days prior to transplantation measured after 12 to 14 weeks	Solanum lycopersicum	None
Increase in Solanum lycopersicum (tomato) plant vigor at 190 to 950 l/ha applied 12 days prior to transplantation measured after 10 weeks	Solanum lycopersicum	None
Increase in Solanum lycopersicum (tomato) foliar potassium concentration at 190 to 950 l/ha applied 12 days prior to transplantation measured after 4 weeks (Rvb = 2.38%)	Solanum lycopersicum	3.25 %
Increase in Solanum lycopersicum (tomato) foliar phosphorus concentration at 190 to 950 l/ha applied 12 days prior to transplantation measured after 4 weeks (Rvb = 0.31%)	Solanum lycopersicum	0.51 %
Nematocidal activity against Belonolaimus at 190 to 950 l/ha applied 12 days prior to tomato transplantation measured after 14 weeks	Belonolaimus	None
Herbicidal activity against Cyperus at 850 l/ha applied 12 days prior to tomato transplantation measured after 14 weeks relative to control	Cyperus	80.0 %
Herbicidal activity against Cyperus at 775 l/ha applied 12 days prior to tomato transplantation measured after 8 weeks relative to control	Cyperus	80.0 %
Herbicidal activity against Cyperus at 190 l/ha applied 12 days prior to tomato transplantation measured after 4 weeks relative to control	Cyperus	80.0 %
Herbicidal activity against Cyperus at 190 to 950 l/ha applied 12 days prior to tomato transplantation measured after 4 to 14 weeks relative to control	Cyperus	None

Cross References

Resources	Reference
ChEMBL	CHEMBL2251584
PubChem	6378
SureChEMBL	SCHEMBL3957

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).