Structure Database (LMSD)

O O O O HO O
Systematic Name
3'-Hydroxy-2',4',5',6'-tetramethoxychalcone
Synonyms
LM ID
LMPK12120361
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)
RZSYQUHEIMQENQ-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)17(23-2)19(25-4)18(24-3)15(16)21/h5-11,21H,1-4H3/b11-10+
SMILES (Click to copy)
C1(OC)=C(OC)C(OC)=C(C(=O)/C=C/C2C=CC=CC=2)C(OC)=C1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CG9NS0003
PubChem CID
21680431

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 322.36
Topological Polar Surface Area 74.22
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.32
Molar Refractivity 94.12

Admin

Created at
-
Updated at
-