Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12110616
Formula
C19H18O9
Exact Mass
Calculate m/z
390.095085
Status
Curated
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)
PIAAUDYNDVKPCW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O9/c1-24-11-5-8(6-12(25-2)14(11)21)17-19(27-4)16(23)13-10(28-17)7-9(20)18(26-3)15(13)22/h5-7,20-22H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
196367
METABOLOMICS ID
FL5FEGNS0008
PubChem CID
44258044

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 325.47
Topological Polar Surface Area 127.82
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 3.51
Molar Refractivity 99.23

Admin

Created at
-
Updated at
-