Structure Database (LMSD)

Systematic Name
5-Hydroxy-7-methoxy-4'-prenyloxyflavanone
Synonyms
LM ID
LMPK12140566
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
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)
XTBZRPYCQNETRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-13(2)8-9-25-15-6-4-14(5-7-15)19-12-18(23)21-17(22)10-16(24-3)11-20(21)26-19/h4-8,10-11,19,22H,9,12H2,1-3H3
SMILES (Click to copy)
C1C(OC)=CC2OC(C3C=CC(OC/C=C(\C)/C)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FCANI0002
PubChem CID
42608070

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 335.81
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.74
Molar Refractivity 98.83

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Updated at
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