Structure Database (LMSD)

Systematic Name
5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone
Synonyms
LM ID
LMPK12113057
Formula
C19H18O9
Exact Mass
Calculate m/z
390.095085
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
QRFKXAOHRKLGMS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O9/c1-24-10-6-11(25-2)9(20)5-8(10)18-19(27-4)17(23)14-12(28-18)7-13(26-3)15(21)16(14)22/h5-7,20-22H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=CC(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1O

Other Databases

CHEBI ID
196373
METABOLOMICS ID
FL5FELNS0010
PubChem CID
11361284

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

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Updated at
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