Structure Database (LMSD)

Common Name
Desmosflavone
Systematic Name
5-Hydroxy-7-methoxy-6,8-di-C-methylflavone
Synonyms
  • 5-Hydroxy-7-methoxy-6,8-dimethylflavone
LM ID
LMPK12110174
Formula
C18H16O4
Exact Mass
Calculate m/z
296.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
PQZXFPBMXPGZMO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

HMDB ID
HMDB0038518
CHEBI ID
137835
METABOLOMICS ID
FL3FA9NM0005
PubChem CID
369598

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.22
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.69
Molar Refractivity 85.72

Admin

Created at
-
Updated at
-