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Columbamine

CAT: 0931-T5S0803-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5S0803-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3621-36-1
Target
Others, Parasite, Cytochromes P450, Apoptosis
Related Pathways
Others, Metabolism, Microbiology/Virology, Apoptosis
Purity
0.9965
Bioactivity
Columbamine (Columbamin) shows strong activity with IC5 48.1 μM.Columbamine exerts anti-proliferative and anti-vasculogenic effects on metastatic human osteosarcoma U2OS cells with low toxicity.
Smiles
OC=1C=C2C=3[N+](=CC=4C(C3)=CC=C(OC)C4OC)CCC2=CC1OC
Molecular Formula
C20H20NO4
Molecular Weight
338.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Columbamine

Columbamine is a berberine alkaloid and an organic heterotetracyclic compound.

CAS Number3621-36-1
PubChem CID72310
IUPAC Name3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Molecular FormulaC20H20NO4+
Molecular Weight338.4
XLogP3.4
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge1
Complexity461
SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
InChI
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChIKey
YYFOFDHQVIODOQ-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Columbamine
CAS: 3621-36-1
CID: 72310
Formula: C20H20NO4+
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass338.13923312
Monoisotopic Mass338.13923312
Topological Polar Surface Area51.8 Ų
Heavy Atom Count25
Formal Charge1
Complexity461
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
BUP04703-01Columbamine
HY-N0926A-01Columbamine (chloride)
AR-C03472-01Columbamine Chloride
MBS1314286-01Recombinant Coptis japonica Columbamine O-methyltransferase

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