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Pseudobaptigenin

CAT: 0804-HY-N10616-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N10616-04Size:50 mg
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Description
Pseudobaptigenin is a flavonoid. Pseudobaptigenin shows very good anticataract activity. Pseudobaptigenin has good binding affinity for the inhibition of glycation against γ-crystallin protein. Pseudobaptigenin also has good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property[1].
CAS Number
90-29-9
UNSPSC
12352005
Hazard Statement
H315-H319
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/pseudobaptigenin.html
Purity
98.41
Solubility
DMSO : 35.71 mg/mL (ultrasonic)
Smiles
O=C1C2=CC=C(C=C2OC=C1C3=CC4=C(OCO4)C=C3)O
Molecular Formula
C16H10O5
Molecular Weight
282.25
Precautions
P264-P280-P302+P352-P362+P364
References & Citations
[1]Jeevanandam J, et al. Identification of potential phytochemical lead against diabetic cataract: An insilico approach. Journal of Molecular Structure, 2020, 1226.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pseudobaptigenin

Pseudobaptigenin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. It has a role as an antiprotozoal drug and a plant metabolite. It is a member of benzodioxoles and a member of 7-hydroxyisoflavones. It is a conjugate acid of a pseudobaptigenin(1-).

CAS Number90-29-9
PubChem CID5281805
IUPAC Name3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one
Molecular FormulaC16H10O5
Molecular Weight282.25
XLogP2.6
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity460
SMILES
C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O
InChI
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
InChIKey
KNJNBKINYHZUGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pseudobaptigenin
CAS: 90-29-9
CID: 5281805
Formula: C16H10O5
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass282.05282342
Monoisotopic Mass282.05282342
Topological Polar Surface Area65 Ų
Heavy Atom Count21
Formal Charge0
Complexity460
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
T123963-01Pseudobaptigenin

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