Structure Database (LMSD)

Common Name
Dihydrodaidzein
Systematic Name
7,4'-Dihydroxyisoflavanone
Synonyms
LM ID
LMPK12050447
Formula
C15H12O4
Exact Mass
Calculate m/z
256.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
JHYXBPPMXZIHKG-UHFFFAOYSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(O)C=C3)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0005760
CHEBI ID
75842
METABOLOMICS ID
FLIB1ANS0001
PubChem CID
176907
Cayman ID
17423

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 225.86
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.74
Molar Refractivity 69.27

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Updated at
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