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S-Dihydrodaidzein

CAT: 0931-T12796-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T12796-01Size:5 mg
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CAS Number
879559-75-8
Target
Others
Related Pathways
Others
Purity
0.9963
Bioactivity
S-Dihydrodaidzein ((3S) -7-hydroxy-3- (4-hydroxyphenyl) -2,3-dihydrochromen-4-one) is an enantiomer of dihydrodaidzein which is involved in equol biosynthesis in a lactic acid bacterium, Lactococcus sp. strain.
Smiles
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1=O
Molecular Formula
C15H12O4
Molecular Weight
256.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-dihydrodaidzein

s-Dihydrodaidzein has been reported in Glycyrrhiza uralensis and Pericopsis mooniana with data available.

CAS Number879559-75-8
PubChem CID11492597
IUPAC Name(3S)-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O4
Molecular Weight256.25
XLogP2.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
C1[C@@H](C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2/t13-/m1/s1
InChIKey
JHYXBPPMXZIHKG-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (S)-dihydrodaidzein
CAS: 879559-75-8
CID: 11492597
Formula: C15H12O4
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.25
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass256.07355886
Monoisotopic Mass256.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
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