HUPERZINE A

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Search structure


Synonyms	Huperaine A Huperazine A Huperzine A Hyperazzine 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	ZRJBHWIHUMBLCN-HZRLMBICSA-N
Smiles	C\C=C\1/[C@@H]2CC3=C(C=CC(=O)N3)[C@]1(N)CC(=C2)C
InChI	InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H18N2O
Molecular Weight	242.32
AlogP	1.06
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	55.12
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	18.0

Assay Description	Organism	Bioactivity	Reference
Antifeedant activity against larvae of Anthrenocerus australis assessed as amount of food intake at 63 ppm after 14 days (Rvb = 55.5 mg)	Anthrenocerus	1.5 mg/ml
Insecticidal activity against larvae of Anthrenocerus australis assessed as survival at 125 to 4000 ppm after 14 days	Anthrenocerus	3.0 %
Insecticidal activity against larvae of Anthrenocerus australis assessed as survival after 14 days	Anthrenocerus	110.0 ppm
Insecticidal activity against larvae of Tineola bisselliella assessed as survival after 14 days	Tineola bisselliella	630.0 ppm
Insecticidal activity against larvae of Tineola bisselliella assessed as survival at 430 to 4500 ppm after 14 days	Tineola bisselliella	3.0 %
Insecticidal activity against newly hatched larvae of Lucilia cuprina assessed as survival at 450 to 5130 ppm after 24 hr	Lucilia cuprina	8.0 %
Insecticidal activity against newly hatched larvae of Lucilia cuprina assessed as mortality after 24 hr	Lucilia cuprina	2.38 mg/ml

Cross References

Resources	Reference
ChEMBL	CHEMBL1255901
PubChem	9794806

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).