Structure Database (LMSD)

Common Name
Daidzein
Systematic Name
Synonyms
LM ID
LMPK12050038
Status
Active
Exact Mass
Calculate m/z
254.05791
Formula
C15H10O4
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
View ion mobility data
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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
Daidzein
KEGG ID
C10208
HMDB ID
HMDB0003312
CHEBI ID
28197
METABOLOMICS ID
FLIA1ANS0002
PubChem CID
5281708
Cayman ID
10005166

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

Admin

Created at
-
Updated at
-