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Bellidifolin

CAT: 0127-BUP07473-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07473-02Size:5 mg
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CAS Number
2798-25-6
Synonyms
Bellidifoline, Bellidifolium
Purity
=98%
Smiles
COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O

Chemical Information

Bellidifolin

Bellidifolin is a member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. It has a role as a metabolite, a hypoglycemic agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a polyphenol and a member of xanthones. It is functionally related to a bellidin.

CAS Number2798-25-6
PubChem CID5281623
IUPAC Name1,5,8-trihydroxy-3-methoxyxanthen-9-one
Molecular FormulaC14H10O6
Molecular Weight274.22
XLogP2.4
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity386
SMILES
COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
InChIKey
JDIORNFCMMYMLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bellidifolin
CAS: 2798-25-6
CID: 5281623
Formula: C14H10O6
MW: 274.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.22
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass274.04773803
Monoisotopic Mass274.04773803
Topological Polar Surface Area96.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity386
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
HY-N2000-01Bellidifolin

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