Structure Database (LMSD)
Common Name
Daidzein
Systematic Name
Synonyms
3D model of Daidzein
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
212.32
Topological Polar Surface Area
70.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.77
Molar Refractivity
71.36
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Updated at
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