Structure Database (LMSD)

OH O OH OH HO O O
Common Name
Kushenol W
Systematic Name
5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone
Synonyms
LM ID
LMPK12140492
Formula
C21H22O7
Exact Mass
Calculate m/z
386.136555
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)
IPQQRODECSTJDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O7/c1-10(2)4-5-11-13(22)8-16(25)20-17(26)9-18(28-21(11)20)12-6-19(27-3)15(24)7-14(12)23/h4,6-8,18,22-25H,5,9H2,1-3H3
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C2OC(C3C=C(OC)C(O)=CC=3O)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNI0031
PubChem CID
42608033

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 353.39
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.73
Molar Refractivity 101.55

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Updated at
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