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8-Prenyldaidzein

CAT: 0804-HY-N2784-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2784-01Size:1 mg
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Description
8-Prenyldaidzein is an isoflavonoid, that can be isolated from Bituminaria morisiana. 8-Prenyldaidzein shows antioxidant activity[1].
CAS Number
135384-00-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Reactive Oxygen Species (ROS)
Type
Natural Products
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/8-prenyldaidzein.html
Purity
99.53
Solubility
10 mM in DMSO
Smiles
O=C1C(C2=CC=C(O)C=C2)=COC3=C(C/C=C(C)\C)C(O)=CC=C13
Molecular Formula
C20H18O4
Molecular Weight
322.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Pistelli L, et al. Pterocarpans from Bituminaria morisiana and Bituminaria bituminosa. Phytochemistry. 2003 Sep;64 (2) :595-8.|[2]Pistelli L, et al. Pterocarpans from Bituminaria morisiana and Bituminaria bituminosa. Phytochemistry. 2003;64 (2) :595-598.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

8-Prenyldaidzein

8-prenyldaidzein is a 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite. It is a polyphenol, a member of 7-hydroxyisoflavones and an olefinic compound. It is functionally related to a daidzein.

CAS Number135384-00-8
PubChem CID14841119
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC20H18O4
Molecular Weight322.4
XLogP4.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O4/c1-12(2)3-8-15-18(22)10-9-16-19(23)17(11-24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-11,21-22H,8H2,1-2H3
InChIKey
NQKCBBHHFITUFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Prenyldaidzein
CAS: 135384-00-8
CID: 14841119
Formula: C20H18O4
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass322.12050905
Monoisotopic Mass322.12050905
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
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