Structure Database (LMSD)

Common Name
Isoliquiritigenin 4-methyl ether
Systematic Name
Synonyms
LM ID
LMPK12120097
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ADRQFDIWPRFKSP-RUDMXATFSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=CC(OC)=CC=2)C(O)=C1

Other Databases

METABOLOMICS ID
FL1C1ANS0002
PubChem CID
5711223

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 252.88
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.00
Molar Refractivity 76.13

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Updated at
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