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7-O-Methylbiochanin A

CAT: 0931-TN1333-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1333-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34086-51-6
Target
Others
Related Pathways
Others
Purity
0.99
Bioactivity
7-O-Methylbiochanin A (4',7-Dimethoxy-5-hydroxyisoflavone) is an isoflavone derivative isolated from the roots of Lotus polyphyllos and other plants in the water lily family.
Smiles
COc1ccc(cc1)-c1coc2cc(OC)cc(O)c2c1=O
Molecular Formula
C17H14O5
Molecular Weight
298.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Hydroxy-4',7-dimethoxyisoflavone

4',7-Dimethoxy-5-hydroxyisoflavone has been reported in Peperomia leptostachya, Ormosia henryi, and other organisms with data available.

CAS Number34086-51-6
PubChem CID5386259
IUPAC Name5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC17H14O5
Molecular Weight298.29
XLogP3.3
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity438
SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
InChI
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
InChIKey
DQNLRFRBAWCJHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-4',7-dimethoxyisoflavone
CAS: 34086-51-6
CID: 5386259
Formula: C17H14O5
MW: 298.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.29
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass298.08412354
Monoisotopic Mass298.08412354
Topological Polar Surface Area65 Ų
Heavy Atom Count22
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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