Structure Database (LMSD)

Systematic Name
3,5,6,7,8,3',4'-Heptamethoxyflavone
Synonyms
LM ID
LMPK12113345
Formula
C22H24O9
Exact Mass
Calculate m/z
432.142035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
SSXJHQZOHUYEGD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(OC)=C1OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

HMDB ID
HMDB0037689
CHEBI ID
176100
METABOLOMICS ID
FL5FGCNS0019
PubChem CID
150893
Cayman ID
36475

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 377.37
Topological Polar Surface Area 94.82
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
logP 4.42
Molar Refractivity 113.89

Admin

Created at
-
Updated at
-