Structure Database (LMSD)

O O O O
Common Name
7,4'-Dimethoxy-6-C-methylflavanone
Systematic Name
7,4'-Dimethoxy-6-C-methylflavanone
Synonyms
LM ID
LMPK12140047
Formula
C18H18O4
Exact Mass
Calculate m/z
298.12051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
YRPUEAJNSFKOAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O4/c1-11-8-14-15(19)9-17(22-18(14)10-16(11)21-3)12-4-6-13(20-2)7-5-12/h4-8,10,17H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C=C1C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F1ANM0001
PubChem CID
42607814

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 277.76
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.72
Molar Refractivity 83.04

Admin

Created at
-
Updated at
-