Structure Database (LMSD)

O O O O O
Common Name
Glyflavanone A
Systematic Name
(2S)-5,4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140556
Formula
C22H22O5
Exact Mass
Calculate m/z
366.146725
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)
BIVJHZMNOBBBLR-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C22H22O5/c1-22(2)10-9-15-18(27-22)12-19(25-4)20-16(23)11-17(26-21(15)20)13-5-7-14(24-3)8-6-13/h5-10,12,17H,11H2,1-4H3/t17-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1O[C@H](C3C=CC(OC)=CC=3)CC(=O)C=1C(OC)=C2

References

Taxonomy Information

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

Other Databases

CHEBI ID
142529
METABOLOMICS ID
FL2FBBNP0001
PubChem CID
42608063

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 340.75
Topological Polar Surface Area 58.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.88
Molar Refractivity 102.56

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Updated at
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