Structure Database (LMSD)

Common Name
5-Allyloxysalvigenin
Systematic Name
Synonyms
LM ID
LMPK12111169
Formula
C21H20O6
Exact Mass
Calculate m/z
368.12599
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KLDSXDLFNYDVLG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-5-10-26-21-19-15(22)11-16(13-6-8-14(23-2)9-7-13)27-17(19)12-18(24-3)20(21)25-4/h5-9,11-12H,1,10H2,2-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(OCC=C)=C1OC

Other Databases

METABOLOMICS ID
FL3FEANS0011
PubChem CID
44258473

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 331.06
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.24
Molar Refractivity 103.87

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Updated at
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