Structure Database (LMSD)

Systematic Name
(2S)-5,6,7,8,4'-Pentamethoxyflavanone
Synonyms
LM ID
LMPK12140686
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)
KEBPSQKPIAKRAT-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C20H22O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-9,14H,10H2,1-5H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)C(OC)=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1OC

Other Databases

METABOLOMICS ID
FL2FGANS0004
PubChem CID
10992374

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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