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2',3',6-Trihydroxy-2,4-dimethoxybenzophenone

CAT: 0804-HY-N1647Size: 1 EachDry Ice: NoHazardous: No
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Description
2',3',6-Trihydroxy-2,4-dimethoxybenzophenone (compound 1) is a benzophenone derivative, that can be isolated from the herbs of Garcinia xanthochymus[1].
CAS Number
219861-73-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-3-6-trihydroxy-2-4-dimethoxybenzophenone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=CC(O)=C1O)C2=C(OC)C=C(OC)C=C2O
Molecular Formula
C15H14O6
Molecular Weight
290.27
References & Citations
[1]Hiroyuki Minami, et al. A benzophenone and a xanthone from Garcinia Subelliptica. Phytochemistry. 1998 Nov 20;49 (6) :1783-1785.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2,2',3'-Trihydroxy-4,6-dimethoxybenzophenone

2,2',3'-Trihydroxy-4,6-dimethoxybenzophenone has been reported in Garcinia subelliptica with data available.

CAS Number219861-73-1
PubChem CID10017078
IUPAC Name(2,3-dihydroxyphenyl)-(2-hydroxy-4,6-dimethoxyphenyl)methanone
Molecular FormulaC15H14O6
Molecular Weight290.27
XLogP2.7
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity360
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)C2=C(C(=CC=C2)O)O)O
InChI
InChI=1S/C15H14O6/c1-20-8-6-11(17)13(12(7-8)21-2)15(19)9-4-3-5-10(16)14(9)18/h3-7,16-18H,1-2H3
InChIKey
IYKKVJSOAPKTPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2',3'-Trihydroxy-4,6-dimethoxybenzophenone
CAS: 219861-73-1
CID: 10017078
Formula: C15H14O6
MW: 290.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.27
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass290.07903816
Monoisotopic Mass290.07903816
Topological Polar Surface Area96.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity360
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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