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Naringenin 4',7-dimethyl ether

CAT: 0926-EBA42496-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-EBA42496-01Size:1 mg
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CAS Number
29424-96-2
MDL Number
MFCD18783098
Smiles
COC1=CC=C (C=C1) [C@@H]2CC (=O) C3=C (C=C (C=C3O2) OC) O
Molecular Formula
C17H16O5
Molecular Weight
300.31 g/mol
Controlled
No

Chemical Information

(2S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

(2S)-5-hydroxy-4',7-dimethoxyflavanone is a 5-hydroxy-4',7-dimethoxyflavanone that has (S)-configuration. It is a (2S)-flavan-4-one and a 5-hydroxy-4',7-dimethoxyflavanone. It is functionally related to a (S)-naringenin.

CAS Number29424-96-2
PubChem CID14057196
IUPAC Name(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP3
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity391
SMILES
COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O
InChI
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3/t15-/m0/s1
InChIKey
CKEXCBVNKRHAMX-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (2S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
CAS: 29424-96-2
CID: 14057196
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area65 Ų
Heavy Atom Count22
Formal Charge0
Complexity391
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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CatalogName
TN11274-01Naringenin 4′,7-dimethyl ether
TN8753-015,7-Naringenin dimethyl ether
T125003-01Amentoflavone 7'',4'''-dimethyl ether
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MBS3617723-01Kaempferol-7,4-dimethyl ether
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