Structure Database (LMSD)

Common Name
Kushenol Q
Systematic Name
5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone
Synonyms
LM ID
LMPK12140501
Formula
C26H32O7
Exact Mass
Calculate m/z
456.214805
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)
YWIUATOYHNLUNP-WLNDFMDLSA-N
InChi (Click to copy)
InChI=1S/C26H32O7/c1-14(2)5-6-16(15(3)13-27)9-19-20(29)11-21(30)25-22(31)12-24(33-26(19)25)18-8-7-17(28)10-23(18)32-4/h5,7-8,10-11,15-16,24,27-30H,6,9,12-13H2,1-4H3/t15?,16?,24-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(C/C=C(/C)\C)C(CO)C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
193550
METABOLOMICS ID
FL2FALNI0040
PubChem CID
42608036

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 439.89
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.95
Molar Refractivity 124.73

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Updated at
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