Structure Database (LMSD)

Systematic Name
3,5,6,7-Tetramethoxyflavone
Synonyms
LM ID
LMPK12112810
Formula
Exact Mass
Calculate m/z
342.11034
Status
Curated


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
YOZUDFLREPPXIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-13-10-12-14(18(23-3)17(13)22-2)15(20)19(24-4)16(25-12)11-8-6-5-7-9-11/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.39
Molar Refractivity 94.24

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Updated at
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