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Decarine

CAT: 0013-GTR19183547Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183547Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Decarine exhibits potent antibacterial activity against mycobacteria, Gram-positive, and Gram-negative bacteria while showing low cytotoxicity in human macrophages. It also inhibits fMLP/CB-induced elastase release (IC50 ≤ 5.53 μg/mL), supporting its research utility in studying infectious diseases and inflammation in cellular models.
CAS Number
54354-62-0
Field of Research
Infectious Disease & Virology
Smiles
COc1c (cnc2c (cc3OCOc3c3) c3ccc22) c2ccc1O
Molecular Formula
C19H13NO4
Molecular Weight
319.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decarine

Decarine is a natural product found particularly in Zanthoxylum caudatum and Zanthoxylum viride. It has a role as a metabolite.

CAS Number54354-62-0
PubChem CID179640
IUPAC Name1-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-ol
Molecular FormulaC19H13NO4
Molecular Weight319.3
XLogP4.1
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity474
SMILES
COC1=C(C=CC2=C3C=CC4=CC5=C(C=C4C3=NC=C21)OCO5)O
InChI
InChI=1S/C19H13NO4/c1-22-19-14-8-20-18-12(11(14)4-5-15(19)21)3-2-10-6-16-17(7-13(10)18)24-9-23-16/h2-8,21H,9H2,1H3
InChIKey
GJJFWGQGJJGJEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decarine
CAS: 54354-62-0
CID: 179640
Formula: C19H13NO4
MW: 319.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass319.08445790
Monoisotopic Mass319.08445790
Topological Polar Surface Area60.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity474
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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