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5,6,7,4'-Tetramethoxyflavanone

CAT: 0804-HY-N13499Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N13499Size:1 Each
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Description
5,6,7,4'-Tetramethoxyflavanone is a flavonoid product that can be isolated from Chloranthus henryi Hemsl.[1].
CAS Number
72943-90-9
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
COC1=C2C(O[C@H](C3=CC=C(C=C3)OC)CC2=O)=CC(OC)=C1OC
Molecular Formula
C19H20O6
Molecular Weight
344.36
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2S)-5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

(2S)-5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has been reported in Persicaria nepalensis with data available.

CAS Number72943-90-9
PubChem CID36690199
IUPAC Name(2S)-5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity447
SMILES
COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3/t14-/m0/s1
InChIKey
AENXIAWIJGWYCP-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (2S)-5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CAS: 72943-90-9
CID: 36690199
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19179362-015,6,7,4'-Tetramethoxyflavanone
FT67102-017,3',4',5'-Tetramethoxyflavanone
GTR19237021-01(2S) -5,7,3,4-tetramethoxyflavanone
MBS5802057(2S) -5,7,3',4'-tetramethoxyflavanone
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sc-2268094,4,5,5,6,6,7,7,7-Nonafluoroheptyl iodide
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TRC-B504280-500MG4,4,5,5,6,6,7,7,7-Nonafluoroheptan-1-ol
sc-2522104,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol
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