Structure Database (LMSD)

OH OH O O O
Common Name
Mundulea flavanone B
Systematic Name
Synonyms
  • 7-O-Methyl-8-prenylnaringenin
  • 7-Methyl-4'-hydroxyglabranin
LM ID
LMPK12140567
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
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)
OWTSKJPRWFIYHU-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-12(2)4-9-15-19(25-3)11-17(24)20-16(23)10-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,11,18,22,24H,9-10H2,1-3H3/t18-/m0/s1
SMILES (Click to copy)
C1(OC)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3)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
FL2FCANI0003
PubChem CID
42608071

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 335.81
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.32
Molar Refractivity 98.22

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Updated at
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