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6-Hydroxy-1,2,3,7-tetramethoxyxanthone

CAT: 0013-GTR19182325Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182325Size:5 mg
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Description
This xanthone derivative is isolated from the medicinal plant Polygala sibirica L. Research indicates it exhibits biological activity, making it a compound of interest for in vitro pharmacological studies, particularly in neuropharmacology and inflammation-related research.
CAS Number
64756-87-2
Smiles
COc1cc2c (cc1O) oc1cc (OC) c (OC) c (OC) c1c2=O
Molecular Formula
C17H16O7
Molecular Weight
332.308
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Hydroxy-1,2,3,7-tetramethoxy-9H-xanthen-9-one

6-Hydroxy-1,2,3,7-tetramethoxy-9H-xanthen-9-one is a member of xanthones.

CAS Number64756-87-2
PubChem CID71378875
IUPAC Name6-hydroxy-1,2,3,7-tetramethoxyxanthen-9-one
Molecular FormulaC17H16O7
Molecular Weight332.3
XLogP2.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
COC1=C(C=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
InChI
InChI=1S/C17H16O7/c1-20-11-5-8-10(6-9(11)18)24-12-7-13(21-2)16(22-3)17(23-4)14(12)15(8)19/h5-7,18H,1-4H3
InChIKey
MLDGGHTUGFLZII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-1,2,3,7-tetramethoxy-9H-xanthen-9-one
CAS: 64756-87-2
CID: 71378875
Formula: C17H16O7
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass332.08960285
Monoisotopic Mass332.08960285
Topological Polar Surface Area83.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
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

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