Structure Database (LMSD)

Common Name
7,4'-Di-O-methyldaidzein
Systematic Name
Synonyms
LM ID
LMPK12050040
Formula
Exact Mass
Calculate m/z
282.08921
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LPNBCGIVZXHHHO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C=C1

Other Databases

CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 246.92
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.38
Molar Refractivity 81.13

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Updated at
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