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1-Hydroxy-2,3,4,7-tetramethoxyxanthone

CAT: 0804-HY-N1623-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1623-01Size:1 mg
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Description
1-Hydroxy-2,3,4,7-tetramethoxyxanthone is a metabolite of xanthone that can be found in Halenia elliptica D. Don[1].
CAS Number
14103-09-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(OC3=C1C=C(OC)C=C3)C(OC)=C(OC)C(OC)=C2O
Molecular Formula
C17H16O7
Molecular Weight
332.30
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Feng R, et al. In vitro study on metabolite profiles of bioactive xanthones isolated from Halenia elliptica D. Don by high performance liquid chromatography coupled to ion trap time-of-flight mass spectrometry. J Pharm Biomed Anal. 2012 Mar 25;62:228-34.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1-Hydroxy-2,3,4,7-tetramethoxyxanthone

1-Hydroxy-2,3,4,7-tetramethoxyxanthone has been reported in Halenia elliptica, Halenia corniculata, and other organisms with data available.

CAS Number14103-09-4
PubChem CID5318358
IUPAC Name1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one
Molecular FormulaC17H16O7
Molecular Weight332.3
XLogP3
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
InChI
InChI=1S/C17H16O7/c1-20-8-5-6-10-9(7-8)12(18)11-13(19)15(21-2)17(23-4)16(22-3)14(11)24-10/h5-7,19H,1-4H3
InChIKey
MIPXRVRWIMVNPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2,3,4,7-tetramethoxyxanthone
CAS: 14103-09-4
CID: 5318358
Formula: C17H16O7
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
XLogP33
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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