Fraxetin
Product Information
Molecular Formula
C10H8O5
Molecular Weight
208.17
Description
Fraxetin is isolated from the bark of Fraxinus brngeana DC. It has protective effect against rotenone-induced cytotoxicity and apoptotic death.
Synonyms
2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one
IUPAC Name
7,8-dihydroxy-6-methoxychromen-2-one
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O
InChI
InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChI Key
HAVWRBANWNTOJX-UHFFFAOYSA-N
Boiling Point
472.0±45.0 °C | Condition: Press: 760 Torr
Melting Point
231 °C
Flash Point
Not applicable
Purity
98%
Density
1.508 g/cm3
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance
Solid
Application
antioxidant activities
Storage
Hygroscopic, Refrigerator, under inert atmosphere
Safety Information
Hazards
H302 - H335
Precautionary Statement
P301 + P312 + P330
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
208.03717335 g/mol
Monoisotopic Mass
208.03717335 g/mol
Topological Polar Surface Area
76Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
288
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
