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Koenine

CAT: 0013-GTR19241672-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241672-02Size:50 mg
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Description
Koenine, a carbazole alkaloid, acts as a SARS-CoV-2 Mpro inhibitor, suppressing viral replication by targeting the protease's catalytic activity. This compound is a useful research tool for in vitro antiviral studies targeting coronavirus enzyme function.
CAS Number
28200-63-7
Field of Research
Infectious Disease & Virology
Smiles
OC=1C=CC=2NC3=C4C=CC (OC4=C (C=C3C2C1) C) (C) C
Molecular Formula
C18H17NO2
Molecular Weight
279.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Koenine

Koenine is a member of carbazoles.

CAS Number28200-63-7
PubChem CID5318827
IUPAC Name3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
Molecular FormulaC18H17NO2
Molecular Weight279.3
XLogP4.3
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity446
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4)O
InChI
InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
InChIKey
VISKLVOLGCYFCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Koenine
CAS: 28200-63-7
CID: 5318827
Formula: C18H17NO2
MW: 279.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.3
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass279.125928785
Monoisotopic Mass279.125928785
Topological Polar Surface Area45.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity446
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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