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3',4',5',5,7-Pentamethoxyflavanone

CAT: 0013-GTR19226086-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226086-01Size:1 mg
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Description
3',4',5',5,7-Pentamethoxyflavanone is a polymethoxylated flavonoid isolated from Neoraputia magnifica var. magnifica. This small molecule is utilized in biochemical research, particularly for in vitro studies investigating its potential biological activities, such as anti-inflammatory or antioxidant effects, based on its structural class.
CAS Number
479672-30-5
Smiles
COc1cc (c2C (=O) CC (Oc2c1) c1cc (c (c (c1) OC) OC) OC) OC
Molecular Formula
C20H22O7
Molecular Weight
374.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7,3',4',5'-Pentamethoxyflavanone

3',4',5',5,7-PENTAMETHOXYFLAVANONE has been reported in Neoraputia alba with data available.

CAS Number479672-30-5
PubChem CID4692111
IUPAC Name5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC20H22O7
Molecular Weight374.4
XLogP2.8
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
COC1=CC2=C(C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=C1)OC
InChI
InChI=1S/C20H22O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-9,14H,10H2,1-5H3
InChIKey
VJQOZRFYJNWSFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7,3',4',5'-Pentamethoxyflavanone
CAS: 479672-30-5
CID: 4692111
Formula: C20H22O7
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass374.13655304
Monoisotopic Mass374.13655304
Topological Polar Surface Area72.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
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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