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Calycosin

CAT: 0607-N1412-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N1412-20Size:20 mg
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Description
ActionsIsoflavone and phytoestrogen
CAS Number
20575-57-9
Product Name Alternative
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Field of Research
Natural Products
Purity
0.9976
Solubility
insoluble in EtOH; insoluble in H2O; ≥50.2 mg/mL in DMSO
Smiles
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Calycosin

Calycosin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position. It has a role as an antioxidant and a metabolite. It is a member of 4'-methoxyisoflavones and a member of 7-hydroxyisoflavones. It is functionally related to an isoflavone. It is a conjugate acid of a calycosin(1-).

CAS Number20575-57-9
PubChem CID5280448
IUPAC Name7-hydroxy-3-(3-hydroxy-4-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=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
InChIKey
ZZAJQOPSWWVMBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Calycosin
CAS: 20575-57-9
CID: 5280448
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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