Structure Database (LMSD)

HO HO OH OH O O
Common Name
Kushenol F
Systematic Name
Synonyms
LM ID
LMPK12140463
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SUPRHWQIFJRUCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-23-24(25(18)30)21(29)12-22(31-23)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,22,26-28,30H,3,6,9,12H2,1-2,4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C(O)=C1CC(C(C)=C)C/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNI0002
PubChem CID
10455036

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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