Structure Database (LMSD)

O O HO HO O
Systematic Name
2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120607
Formula
C17H18O5
Exact Mass
Calculate m/z
302.115425
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)
KTMWYIVORZZVMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O5/c1-21-13-9-16(20)14(17(10-13)22-2)7-8-15(19)11-3-5-12(18)6-4-11/h3-6,9-10,18,20H,7-8H2,1-2H3
SMILES (Click to copy)
C1(O)C=CC(C(=O)CCC2C(O)=CC(OC)=CC=2OC)=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1DRTNS0008
PubChem CID
42607735

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 281.61
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.93
Molar Refractivity 81.97

Admin

Created at
-
Updated at
-