Structure Database (LMSD)

Common Name
Kushenol P
Systematic Name
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone
Synonyms
LM ID
LMPK12140502
Formula
C26H32O7
Exact Mass
Calculate m/z
456.214805
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)
XOPDZJVJVVORSL-GMTBNIFVSA-N
InChi (Click to copy)
InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-19(28)12-20(29)24-21(30)13-23(33-25(18)24)17-7-6-16(27)11-22(17)32-5/h6-7,11-12,15,23,27-29,31H,1,8-10,13H2,2-5H3/t15?,23-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(CCC(O)(C)C)C(C)=C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FALNI0041
PubChem CID
10742453

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 5.09
Molar Refractivity 124.80

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Updated at
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