Structure Database (LMSD)

Systematic Name
5,6,2',3',6'-Pentamethoxyflavone
Synonyms
LM ID
LMPK12110093
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)
KHAJXTXUCWNYAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-12-6-8-15(24-3)20(26-5)18(12)16-10-11(21)17-13(27-16)7-9-14(23-2)19(17)25-4/h6-10H,1-5H3
SMILES (Click to copy)
C12C(=O)C=C(C3C(OC)=CC=C(OC)C=3OC)OC=1C=CC(OC)=C2OC

Other Databases

METABOLOMICS ID
FL3F98NS0014
PubChem CID
21580516

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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