Products for Research Use Only

Wushanicaritin

CAT: 1410-M26507-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26507-02Size:5 mg
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Description
Wushanicaritin is a natural product isolated from the traditional Chinese medicine Epimedium plants, with antitumor effects and anti-inflammatory property.
CAS Number
521-45-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.4
Molecular Formula
C21H22O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Wushanicaritin
CAS Number521-45-9
PubChem CID12310757
IUPAC Name3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC21H22O7
Molecular Weight386.4
XLogP3.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity606
SMILES
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)O
InChI
InChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(22)10-15(23)16-17(24)18(25)19(28-20(13)16)11-4-6-12(27-3)7-5-11/h4-7,10,22-23,25-26H,8-9H2,1-3H3
InChIKey
VAYWXTLNNGACLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Wushanicaritin
CAS: 521-45-9
CID: 12310757
Formula: C21H22O7
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass386.13655304
Monoisotopic Mass386.13655304
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity606
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