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Eupalitin

CAT: 0013-GTR19180164Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180164Size:5 mg
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Description
Eupalitin
CAS Number
29536-41-2
Smiles
COc1cc2oc (-c3ccc (O) cc3) c (O) c (=O) c2c (O) c1OC
Molecular Formula
C17H14O7
Molecular Weight
330.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5,4'-Trihydroxy-6,7-dimethoxyflavone

eupalitin has been reported in Artemisia annua, Aeonium glutinosum, and other organisms with data available.

CAS Number29536-41-2
PubChem CID5748611
IUPAC Name3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP2.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity509
SMILES
COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C17H14O7/c1-22-11-7-10-12(14(20)17(11)23-2)13(19)15(21)16(24-10)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3
InChIKey
KWMAWXWUGIEVDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,4'-Trihydroxy-6,7-dimethoxyflavone
CAS: 29536-41-2
CID: 5748611
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity509
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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