Structure Database (LMSD)

Common Name
Sophoraflavanone G
Systematic Name
Synonyms
LM ID
LMPK12140467
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
XRYVAQQLDYTHCL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3
SMILES (Click to copy)
C1(O)=C(CC(C(C)=C)C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
188890
METABOLOMICS ID
FL2FALNI0006
PubChem CID
73198

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.31
Molar Refractivity 117.92

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Updated at
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