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Melicopidine

CAT: 0931-TN11450-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11450-02Size:50 mg
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CAS Number
475-91-2
Target
Topoisomerase
Related Pathways
DNA Damage/DNA Repair
Bioactivity
Melicopidine (NSC 34757) is a DNA topoisomerase inhibitor and an acridone alkaloid found in the bark of the Medicosma subsessilis tree. It exhibits potential antitumor effects by binding to DNA or inhibiting the activity of related enzymes.
Smiles
O=C1C=2C=CC=CC2N(C3=C(OC)C=4OCOC4C(OC)=C13)C
Molecular Formula
C17H15NO5
Molecular Weight
313.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one

Melicopidine is a member of acridines. It is functionally related to an acridone.

CAS Number475-91-2
PubChem CID68060
IUPAC Name4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
Molecular FormulaC17H15NO5
Molecular Weight313.30
XLogP2.9
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC
InChI
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3
InChIKey
TZZNUDMEMFBPQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one
CAS: 475-91-2
CID: 68060
Formula: C17H15NO5
MW: 313.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.30
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass313.09502258
Monoisotopic Mass313.09502258
Topological Polar Surface Area57.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
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

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