Structure Database (LMSD)

Common Name
Kushenol T
Systematic Name
(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone
Synonyms
LM ID
LMPK12140117
Formula
C25H30O6
Exact Mass
Calculate m/z
426.20424
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)
PMFICSJNAUBMIQ-CEISFSOZSA-N
InChi (Click to copy)
InChI=1S/C25H30O6/c1-14(2)15(9-10-25(3,4)30)11-17-19(27)12-20(28)23-21(29)13-22(31-24(17)23)16-7-5-6-8-18(16)26/h5-8,12,15,22,26-28,30H,1,9-11,13H2,2-4H3/t15?,22-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(CCC(C)(C)O)C(=C)C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FA8NI0008
PubChem CID
10598514

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 413.80
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.08
Molar Refractivity 118.25

Admin

Created at
-
Updated at
-