Structure Database (LMSD)

Common Name
Kushenol S
Systematic Name
5,7,2'-Trihydroxy-8-prenylflavanone
Synonyms
LM ID
LMPK12140115
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Active
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)
GIFKZTHWWIZJET-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)7-8-13-15(22)9-16(23)19-17(24)10-18(25-20(13)19)12-5-3-4-6-14(12)21/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FA8NI0006
PubChem CID
10854625

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 93.33

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Updated at
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