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1,3,7-Trihydroxy-2-methoxyxanthone

CAT: 0804-HY-N10157Size: 1 EachDry Ice: NoHazardous: No
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Description
1,3,7-Trihydroxy-2-methoxyxanthone is a Xanthones product that can be isolated from the roots of Polygala fallax.[1].
CAS Number
211948-69-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1-3-7-trihydroxy-2-methoxyxanthone.html
Smiles
COC1=C(O)C2=C(OC3=C(C=C(O)C=C3)C2=O)C=C1O
Molecular Formula
C14H10O6
Molecular Weight
274.23
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1,3,7-Trihydroxy-2-methoxyxanthone

9H-Xanthen-9-one, 1,3,7-trihydroxy-2-methoxy- has been reported in Polygala tenuifolia, Garcinia mangostana, and other organisms with data available.

CAS Number211948-69-5
PubChem CID12133315
IUPAC Name1,3,7-trihydroxy-2-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=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O
InChI
InChI=1S/C14H10O6/c1-19-14-8(16)5-10-11(13(14)18)12(17)7-4-6(15)2-3-9(7)20-10/h2-5,15-16,18H,1H3
InChIKey
GLXRAYJUKLGHEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,7-Trihydroxy-2-methoxyxanthone
CAS: 211948-69-5
CID: 12133315
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

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