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Chelerythrine

CAT: 0127-BUP06361-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06361-03Size:25 mg
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CAS Number
34316-15-9
Synonyms
Toddalin, Broussonpapyrine, Cheleritrine
Purity
=98%
Smiles
C[N+]=1C=2C(C=3C(C1)=C(OC)C(OC)=CC3)=CC=C4C2C=C5C(=C4)OCO5

Chemical Information

Chelerythrine

Chelerythrine is a benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has a role as an antibacterial agent, an antineoplastic agent and an EC 2.7.11.13 (protein kinase C) inhibitor. It is an organic cation and a benzophenanthridine alkaloid.

CAS Number34316-15-9
PubChem CID2703
IUPAC Name1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Molecular FormulaC21H18NO4+
Molecular Weight348.4
XLogP4.6
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge1
Complexity516
SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
InChIKey
LLEJIEBFSOEYIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chelerythrine
CAS: 34316-15-9
CID: 2703
Formula: C21H18NO4+
MW: 348.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass348.12358306
Monoisotopic Mass348.12358306
Topological Polar Surface Area40.8 Ų
Heavy Atom Count26
Formal Charge1
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
300065Chelerythrine
A3306-10Chelerythrine Chloride
HY-12048-01Chelerythrine (chloride)

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