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2',7-Dihydroxy-5,8-dimethoxyflavanone

CAT: 0804-HY-N2734Size: 1 EachDry Ice: NoHazardous: No
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Description
2',7-Dihydroxy-5,8-dimethoxyflavanone is a Flavonoids product that can be isolated from the herbs of Scutellaria barbata[1].
CAS Number
1351338-14-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-7-dihydroxy-5-8-dimethoxyflavanone.html
Smiles
COC1=C2C(O[C@H](C3=C(C=CC=C3)O)CC2=O)=C(OC)C(O)=C1
Molecular Formula
C17H16O6
Molecular Weight
316.31
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7,2'-Dihydroxy-5,8-dimethoxyflavanone
CAS Number1351338-14-1
PubChem CID122177200
IUPAC Name7-hydroxy-2-(2-hydroxyphenyl)-5,8-dimethoxy-2,3-dihydrochromen-4-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.1
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity427
SMILES
COC1=C2C(=O)CC(OC2=C(C(=C1)O)OC)C3=CC=CC=C3O
InChI
InChI=1S/C17H16O6/c1-21-14-8-12(20)16(22-2)17-15(14)11(19)7-13(23-17)9-5-3-4-6-10(9)18/h3-6,8,13,18,20H,7H2,1-2H3
InChIKey
SJYKCNDMHBDJEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,2'-Dihydroxy-5,8-dimethoxyflavanone
CAS: 1351338-14-1
CID: 122177200
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area85.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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