Structure Database (LMSD)

Common Name
Ageconyflavone C
Systematic Name
4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12111280
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)
LRBNYMQUUAIWST-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-14-6-10(7-15(24-2)18(14)22)12-8-11(21)17-13(28-12)9-16(25-3)19(26-4)20(17)27-5/h6-9,22H,1-5H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(OC)C(OC)=C2OC

Other Databases

METABOLOMICS ID
FL3FEGNS0014
PubChem CID
44258535

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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