Structure Database (LMSD)

O O O O O O
Systematic Name
2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone
Synonyms
LM ID
LMPK12120551
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
LWJGUEYGORYCIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-13-9-17(22-2)19(18(10-13)23-3)14(20)6-4-12-5-7-15-16(8-12)25-11-24-15/h5,7-10H,4,6,11H2,1-3H3
SMILES (Click to copy)
C1(OC)C=C(OC)C(C(=O)CCC2C=C3OCOC3=CC=2)=C(OC)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1DDCNS0001
PubChem CID
9997593

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 67.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.26
Molar Refractivity 91.31

Admin

Created at
-
Updated at
-