Structure Database (LMSD)

Systematic Name
5,6,2',3',4'-Pentamethoxyflavone
Synonyms
LM ID
LMPK12110115
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
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)
RXRZZDZJENMNEF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-14-9-8-13-17(19(14)25-4)12(21)10-16(27-13)11-6-7-15(23-2)20(26-5)18(11)24-3/h6-10H,1-5H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=C(OC)C=3OC)OC=1C=CC(OC)=C2OC

Other Databases

METABOLOMICS ID
FL3F9LNS0002
PubChem CID
14055877

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 76.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 100.79

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Updated at
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