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Barakol

CAT: 0013-GTR19239484-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239484-01Size:10 mg
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Description
Barakol, a bioactive compound from Cassia siamea, acts as an MMP-3 inhibitor and synergizes with doxorubicin to suppress metastasis. It promotes apoptosis via ROS generation, an increased Bax/Bcl-2 ratio, and caspase-9 activation, supporting research in oncology, pharmacology, and in vitro mechanistic studies.
CAS Number
24506-68-1
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Protein Biochemistry, Signal Transduction
Smiles
OC=1C=C2OC (=CC3 (O) OC (=CC (C1) =C23) C) C
Molecular Formula
C13H12O4
Molecular Weight
232.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol

a tricyclic 3a,4-dihydro-3a,8-dihydroxy-2,5-dimethyl-1,4-dioxaphenalene ring system

CAS Number24506-68-1
PubChem CID3080731
IUPAC Name3,7-dimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,7,9(13),10-pentaene-5,11-diol
Molecular FormulaC13H12O4
Molecular Weight232.23
XLogP1.8
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity400
SMILES
CC1=CC2=C3C(=CC(=C2)O)OC(=CC3(O1)O)C
InChI
InChI=1S/C13H12O4/c1-7-3-9-4-10(14)5-11-12(9)13(15,17-7)6-8(2)16-11/h3-6,14-15H,1-2H3
InChIKey
LVPNMZHEDIKUFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol
CAS: 24506-68-1
CID: 3080731
Formula: C13H12O4
MW: 232.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.23
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass232.07355886
Monoisotopic Mass232.07355886
Topological Polar Surface Area58.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8213-01Barakol

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