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β-Nor-lapachone

CAT: 0931-T60291-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60291-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52436-88-1
Target
Others, Antifungal, Reactive Oxygen Species
Related Pathways
NF-κB, Immunology/Inflammation, Microbiology/Virology, Others, Metabolism
Bioactivity
β-Nor-lapachone is an antibiofilm agent of Candida glabrata with antifungal activity [1]. It stimulates ROS production, inhibits efflux activity, adhesion, biofilm formation, and disrupts the metabolism of mature biofilms.
Smiles
O=C1C2=C(C=3C(C1=O)=CC=CC3)OC(C)(C)C2
Molecular Formula
C14H12O3
Molecular Weight
228.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nor-Beta-Lapachone

has antineoplastic activity; structure in first source

CAS Number52436-88-1
PubChem CID5249188
IUPAC Name2,2-dimethyl-3H-benzo[g][1]benzofuran-4,5-dione
Molecular FormulaC14H12O3
Molecular Weight228.24
XLogP1.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity431
SMILES
CC1(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C
InChI
InChI=1S/C14H12O3/c1-14(2)7-10-12(16)11(15)8-5-3-4-6-9(8)13(10)17-14/h3-6H,7H2,1-2H3
InChIKey
DMSVAEFGRLMACV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nor-Beta-Lapachone
CAS: 52436-88-1
CID: 5249188
Formula: C14H12O3
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass228.078644241
Monoisotopic Mass228.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity431
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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