Structure Database (LMSD)

Systematic Name
3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12112796
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
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)
WNXKIASVAMSBQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-11-8-12(24-2)16-13(9-11)28-19(18(22)17(16)21)10-6-14(25-3)20(27-5)15(7-10)26-4/h6-9,22H,1-5H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=C(OC)C(OC)=C(OC)C=3)OC=1C=C(OC)C=C2OC

Other Databases

METABOLOMICS ID
FL5FDKNS0007
PubChem CID
44259720

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 333.98
Topological Polar Surface Area 96.59
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 4.11
Molar Refractivity 102.45

Admin

Created at
-
Updated at
-