Structure Database (LMSD)

O OH OH OH O O
Common Name
Kenusanone J
Systematic Name
(2S)-5,2',4'-Trihydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140523
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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)
ACVUCXHKACKHFE-INIZCTEOSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-20(2)6-5-12-17(26-20)9-15(24)18-14(23)8-16(25-19(12)18)11-4-3-10(21)7-13(11)22/h3-4,7,9,16,21-22,24H,5-6,8H2,1-2H3/t16-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)CCC=1C1O[C@H](C3C=CC(O)=CC=3O)CC(=O)C=1C(O)=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNP0019
PubChem CID
42608049

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 317.58
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.90
Molar Refractivity 93.73

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Updated at
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