Structure Database (LMSD)

Systematic Name
3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12112668
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)
XNIAWIUYUMBOBR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-10-7-11(20)15-12(8-10)27-18(17(22)16(15)21)9-5-13(24-2)19(26-4)14(6-9)25-3/h5-8,20,22H,1-4H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=C(OC)C(OC)=C(OC)C=3)OC=1C=C(OC)C=C2O

Other Databases

METABOLOMICS ID
FL5FCKNS0002
PubChem CID
44259639

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

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Updated at
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