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4,5-Dihydropiperlonguminine

CAT: 0804-HY-N11761-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11761-01Size:1 mg
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Description
4,5-Dihydropiperlonguminine is a natural product that can be isolated from the seeds of Piper tuberculatum Jacq. (Piperaceae) . 4,5-Dihydropiperlonguminine is a insecticide against velvetbean caterpillars[1].
CAS Number
23512-53-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/4-5-dihydropiperlonguminine.html
Solubility
10 mM in DMSO
Smiles
CC(C)CNC(/C=C/CCC1=CC=C(OCO2)C2=C1)=O
Molecular Formula
C16H21NO3
Molecular Weight
275.34
Precautions
P261-P280-P302+P352
References & Citations
[1]Navickiene HM, et al. Toxicity of extracts and isobutyl amides from Piper tuberculatum: potent compounds with potential for the control of the velvetbean caterpillar, Anticarsia gemmatalis. Pest Manag Sci. 2007 Apr;63 (4) :399-403.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4,5-Dihydropiperlonguminine

4,5-Dihydropiperlonguminine is a member of benzodioxoles.

CAS Number23512-53-0
PubChem CID12682184
IUPAC Name(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
Molecular FormulaC16H21NO3
Molecular Weight275.34
XLogP3.5
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity341
SMILES
CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+
InChIKey
CSGDXLXTJVRNEA-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dihydropiperlonguminine
CAS: 23512-53-0
CID: 12682184
Formula: C16H21NO3
MW: 275.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.34
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass275.15214353
Monoisotopic Mass275.15214353
Topological Polar Surface Area47.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes