Structure Database (LMSD)

Common Name
5,7,2',3',4'-Pentamethoxyflavanone
Systematic Name
5,7,2',3',4'-Pentamethoxyflavanone
Synonyms
LM ID
LMPK12140537
Formula
C20H22O7
Exact Mass
Calculate m/z
374.136555
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)
HZWSAUOBLMSNPL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O7/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,15H,10H2,1-5H3
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=CC(OC)=C(OC)C=3OC)CC(=O)C2=C(OC)C=1

Other Databases

METABOLOMICS ID
FL2FALNS0008
PubChem CID
21573556

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 338.73
Topological Polar Surface Area 74.52
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 3.44
Molar Refractivity 97.96

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Updated at
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