Structure Database (LMSD)

Systematic Name
3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
Synonyms
LM ID
LMPK12113022
Formula
C18H14O8
Exact Mass
Calculate m/z
358.06887
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)
KNMBMVIRNMTOOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O8/c1-22-17-9(19)6-12-13(18(17)23-2)14(20)15(21)16(26-12)8-3-4-10-11(5-8)25-7-24-10/h3-6,19,21H,7H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC4OCOC=4C=3)=C(O)C(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL5FECNS0041
PubChem CID
44259874

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 287.02
Topological Polar Surface Area 111.73
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.52
Molar Refractivity 90.58

Admin

Created at
-
Updated at
-