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Chelerythrine hydroxide

CAT: 0931-T69207-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69207-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478-03-5
Target
Others
Related Pathways
Others
Bioactivity
Chelerythrine hydroxide is the salt form of Chelerythrine, a benzophenanthridine alkaloid present in the plant Chelidonium majus (greater celandine) . It is a potent, selective, and cell-permeable protein kinase C inhibitor in vitro. And an efficacious antagonist of G-protein-coupled CB1 receptors.]This molecule also exhibits anticancer qualities and it has served as a base for many potential novel drugs against cancer.
Smiles
C[N+]=1C=2C(C=3C(C1)=C(OC)C(OC)=CC3)=CC=C4C2C=C5C(=C4)OCO5.[OH-]
Molecular Formula
C21H19NO5
Molecular Weight
365.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (1:1)
CAS Number478-03-5
PubChem CID5351594
IUPAC Name1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide
Molecular FormulaC21H19NO5
Molecular Weight365.4
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity516
SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]
InChI
InChI=1S/C21H18NO4.H2O/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;1H2/q+1;/p-1
InChIKey
YZYNINHQZLUUAW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide (1:1)
CAS: 478-03-5
CID: 5351594
Formula: C21H19NO5
MW: 365.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass365.12632271
Monoisotopic Mass365.12632271
Topological Polar Surface Area41.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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