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6,7,4'-Trihydroxyflavanone

CAT: 0013-GTR19180199Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180199Size:5 mg
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Description
6,7,4'-Trihydroxyflavanone is a bioactive flavanone with demonstrated anti-inflammatory, anti-rheumatic, and neuroprotective properties. It shows potential for research in neurodegenerative conditions and substance abuse, including studies on its protective effects against METH-induced T-cell deactivation in both in vitro and in vivo models.
CAS Number
189689-31-4
Smiles
O=C1C2=CC (O) =C (O) C=C2OC (C3=CC=C (O) C=C3) C1
Molecular Formula
C15H12O5
Molecular Weight
272.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6,7,4'-Trihydroxyflavanone

6,7,4'-trihydroxyflavanone is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 6, 7 and 4'. It is a member of 4'-hydroxyflavanones and a trihydroxyflavanone.

CAS Number189689-31-4
PubChem CID23724670
IUPAC Name6,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O5
Molecular Weight272.25
XLogP1.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity363
SMILES
C1C(OC2=CC(=C(C=C2C1=O)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-5,7,14,16,18-19H,6H2
InChIKey
UABMFOBSIHSWFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7,4'-Trihydroxyflavanone
CAS: 189689-31-4
CID: 23724670
Formula: C15H12O5
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass272.06847348
Monoisotopic Mass272.06847348
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity363
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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