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Isobavachalcone

CAT: 0013-GTR19170729-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170729-05Size:50 mg
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Description
Isobavachalcone
CAS Number
20784-50-3
Product Name Alternative
Akt, Autophagy, Apoptosis, Corylifolinin, Inhibitor, inhibit, Isobacachalcone, Isobavachalcone, Reactive Oxygen Species, ReactiveOxygenSpecies, Protein kinase B, PKB
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+90% Saline:2.5 mg/mL (7.71 mM) ; DMSO:58.82 mg/mL (181.34 mM) ; Chloroform, Dichloromethane, Ethyl Acetate, Acetone:Soluble
Smiles
CC (C) =CCc1c (O) ccc (C (=O) \C=C\c2ccc (O) cc2) c1O
Molecular Formula
C20H20O4
Molecular Weight
324.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isobavachalcone

Isobavachalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'. It has a role as a metabolite, an antibacterial agent and a platelet aggregation inhibitor. It is a member of chalcones and a polyphenol. It is functionally related to a trans-chalcone.

CAS Number20784-50-3
PubChem CID5281255
IUPAC Name(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP5.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity470
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKey
DUWPGRAKHMEPCM-IZZDOVSWSA-N
Chemical Structure
2D Structure
2D structure of Isobavachalcone
CAS: 20784-50-3
CID: 5281255
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-BS-00148Isobavachalcone
HY-13065R-01Isobavachalcone (Standard)
A11453-5Isobavachalcone 5mg
A11453-500Isobavachalcone 500mg
A11453-10Isobavachalcone 10mg
A11453-100Isobavachalcone 100mg
A11453-50Isobavachalcone 50mg

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