Structure Database (LMSD)

Systematic Name
3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12113372
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
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)
WUDSCDNDSIMTCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-24-11-7-9(6-10(22)15(11)25-2)14-18(27-4)13(23)12-16(26-3)20-21(30-8-29-20)19(28-5)17(12)31-14/h6-7,22H,8H2,1-5H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)C(OC)=C(C3C=C(O)C(OC)=C(OC)C=3)OC=1C=2OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL5FGGNS0016
PubChem CID
44260079

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 119.19
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
logP 3.84
Molar Refractivity 108.58

Admin

Created at
-
Updated at
-