Structure Database (LMSD)

Systematic Name
6,2',3'-Trimethoxyflavone
Synonyms
LM ID
LMPK12110089
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JAJRYQVSBTWNTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-10H,1-3H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC=C(OC)C=3OC)=CC(=O)C=2C=C1OC

Other Databases

METABOLOMICS ID
FL3F98NS0010
PubChem CID
688801

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 273.01
Topological Polar Surface Area 57.90
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.39
Molar Refractivity 87.68

Admin

Created at
-
Updated at
-