Structure Database (LMSD)

Systematic Name
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12111611
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
Status
Active
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)
VNLGPDWLUGVAHO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-13-7-6-10-16(22)20(27-5)18(28-17(10)19(13)26-4)11-8-15(25-3)12(21)9-14(11)24-2/h6-9,21H,1-5H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=C(OC)C(O)=CC=3OC)OC=1C(OC)=C(OC)C=C2

Other Databases

METABOLOMICS ID
FL5F3LNS0001
PubChem CID
44258707

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

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Updated at
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