Structure Database (LMSD)

Systematic Name
5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
Synonyms
LM ID
LMPK12111075
Formula
C19H16O7
Exact Mass
Calculate m/z
356.089605
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)
BWLXQDXZRBBMSG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O7/c1-21-11-6-14(22-2)18-12(20)8-13(26-15(18)7-11)10-4-16(23-3)19-17(5-10)24-9-25-19/h4-8H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C4OCOC=4C=3)=CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL3FDHNS0001
PubChem CID
44258399

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

Admin

Created at
-
Updated at
-