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Chalepensin

CAT: 0013-GTR19181874-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19181874-02Size:1 ml x 10 mM (in DMSO)
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Description
Chalepensin is a furanocoumarin compound derived from Ruta chalepensis L. that acts as a selective CYP2A6 inhibitor. It also demonstrates antiprotozoal activity and inhibits MRSA growth in vitro, making it a useful research tool for studying cytochrome P450 enzymes and antimicrobial resistance mechanisms.
CAS Number
13164-03-9
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
O=C1OC=2C=C3OC=CC3=CC2C=C1C (C=C) (C) C
Molecular Formula
C16H14O3
Molecular Weight
254.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chalepensin

Chalepensin is a furanocoumarin.

CAS Number13164-03-9
PubChem CID128834
IUPAC Name6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O3
Molecular Weight254.28
XLogP4.3
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity435
SMILES
CC(C)(C=C)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
InChI
InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKey
FYCCCUNGXGKNJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chalepensin
CAS: 13164-03-9
CID: 128834
Formula: C16H14O3
MW: 254.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass254.094294304
Monoisotopic Mass254.094294304
Topological Polar Surface Area39.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity435
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
NAA16403-01Chalepensin

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