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3-Methoxydaidzein

CAT: 0607-BA7004-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7004-10Size:10 mg
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CAS Number
21913-98-4
Form
A solid
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3'-Methoxydaidzein

7,4'-dihydroxy-3'-methoxyisoflavone is a member of the class of 7-hydroxyisoflavones that is 7,4'-dihydroxyisoflavone substituted by a methoxy group at position 3'. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity. It has a role as a metabolite and an antiplasmodial drug. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones.

CAS Number21913-98-4
PubChem CID5319422
IUPAC Name7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP2.4
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity432
SMILES
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3
InChIKey
MUYAUELJBWQNDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Methoxydaidzein
CAS: 21913-98-4
CID: 5319422
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity432
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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Alternative Products

CatalogName
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JFC42829-013- (3,3,3-Trifluoropropyl) aniline
sc-2604333- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
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