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Flavanomarein

CAT: 0013-GTR19155413-08Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155413-08Size:50 mg
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Description
Flavanomarein demonstrates potent antioxidative property, including free radical scavenging activity, inhibition of lipid peroxidation, as well as lipid-lowering effects in human HepG2 hepatocellular carcinoma cells treated with free fatty acids (FFAs) .
CAS Number
577-38-8
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
O=C1C[C@@H] (C2=CC=C (O) C (O) =C2) OC3=C (O) C (O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@@H] (CO) O4) O) O) O) =CC=C13
Molecular Formula
C21H22O11
Molecular Weight
450.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Flavanomarein

Flavanomarein has been reported in Abies pindrow with data available.

CAS Number577-38-8
PubChem CID101781
IUPAC Name(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O11
Molecular Weight450.4
XLogP-0.3
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1
InChIKey
DGGOLFCPSUVVHX-RTHJTPBESA-N
Chemical Structure
2D Structure
2D structure of Flavanomarein
CAS: 577-38-8
CID: 101781
Formula: C21H22O11
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP3-0.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass450.11621151
Monoisotopic Mass450.11621151
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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