Structure Database (LMSD)

Systematic Name
5,7,8-Trimethoxyflavanone
Synonyms
LM ID
LMPK12140662
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CQNKQOFKXLLWRE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL2FF9NS0006
PubChem CID
15380425

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 56.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.42
Molar Refractivity 84.86

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