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1,7-Dihydroxy-2,3-dimethoxyxanthone

CAT: 0804-HY-N9269Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9269Size:1 Each
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Description
1,7-Dihydroxy-2,3-dimethoxyxanthone is a xanthone that can be found in Polygala cyparissias[1].
CAS Number
78405-33-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1-7-dihydroxy-2-3-dimethoxyxanthone.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(OC3=C1C=C(O)C=C3)C=C(OC)C(OC)=C2O
Molecular Formula
C15H12O6
Molecular Weight
288.25
References & Citations
[1]Tânia R. Pinheiro; et al. Three xanthones from Polygala cyparissias. Phytochemistry, 1998, 48 (4), 725-728.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1,7-Dihydroxy-2,3-dimethoxyxanthone

9H-Xanthen-9-one, 1,7-dihydroxy-2,3-dimethoxy- has been reported in Polygala tenuifolia, Frasera speciosa, and Polygala cyparissias with data available.

CAS Number78405-33-1
PubChem CID10039726
IUPAC Name1,7-dihydroxy-2,3-dimethoxyxanthen-9-one
Molecular FormulaC15H12O6
Molecular Weight288.25
XLogP2.7
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity400
SMILES
COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)OC
InChI
InChI=1S/C15H12O6/c1-19-11-6-10-12(14(18)15(11)20-2)13(17)8-5-7(16)3-4-9(8)21-10/h3-6,16,18H,1-2H3
InChIKey
BLXIZCDWQXDWQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Dihydroxy-2,3-dimethoxyxanthone
CAS: 78405-33-1
CID: 10039726
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area85.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity400
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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