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Bromoflavone

CAT: 0013-GTR19266378-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266378-02Size:50 mg
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Description
Bromoflavone (CJ-19784) is a flavonoid isolated from Aspergillus candidus. It demonstrates antitubercular activity against Mycobacterium tuberculosis (MTB) with an MIC90 of 1.2 μM. Additionally, Bromoflavone acts as an antifungal agent, inhibiting the growth of pathogenic fungi such as Candida albicans, Cryptococcus neoformans, and Aspergillus fumigatus with IC50 values of 0.11 μg/mL, 20 μg/mL, and 0.54 μg/mL, respectively.
CAS Number
399509-71-8
Field of Research
Infectious Disease & Virology
Smiles
O=C1C (OC) =C (OC2=C (OC) C (OC) =CC (O) =C12) C=3C=CC=C (Br) C3O
Molecular Formula
C18H15BrO7
Molecular Weight
423.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CJ-19,784

CJ-19,784 is an ether and a member of flavonoids.

CAS Number399509-71-8
PubChem CID10477367
IUPAC Name2-(3-bromo-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
Molecular FormulaC18H15BrO7
Molecular Weight423.2
XLogP3.8
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity566
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Br)O)OC)OC
InChI
InChI=1S/C18H15BrO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3
InChIKey
PRRZKYZEPCKTFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CJ-19,784
CAS: 399509-71-8
CID: 10477367
Formula: C18H15BrO7
MW: 423.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.2
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass422.00012
Monoisotopic Mass422.00012
Topological Polar Surface Area94.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity566
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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