Structure Database (LMSD)

Common Name
Ageconyflavone A
Systematic Name
3',4'-Methylenedioxy-5,6,7-trimethoxyflavone
Synonyms
LM ID
LMPK12111248
Formula
C19H16O7
Exact Mass
Calculate m/z
356.089605
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)
UWMIBQBUKOVZNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O7/c1-21-16-8-15-17(19(23-3)18(16)22-2)11(20)7-13(26-15)10-4-5-12-14(6-10)25-9-24-12/h4-8H,9H2,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC4OCOC=4C=3)OC=1C=C(OC)C(OC)=C2OC

Other Databases

METABOLOMICS ID
FL3FECNS0022
PubChem CID
10089586

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 295.53
Topological Polar Surface Area 80.50
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.11
Molar Refractivity 93.81

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