Structure Database (LMSD)

Systematic Name
3,5-Dihydroxy-6,7,8,4'-tetramethoxyflavone
Synonyms
LM ID
LMPK12113316
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
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)
LKUYAIMLLHBGMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-14(22)12(20)11-13(21)17(24-2)19(26-4)18(25-3)16(11)27-15/h5-8,21-22H,1-4H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=CC(OC)=CC=3)OC=1C(OC)=C(OC)C(OC)=C2O

Other Databases

HMDB ID
HMDB0137982
METABOLOMICS ID
FL5FGANS0010
PubChem CID
10667107

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

Admin

Created at
-
Updated at
-