Structure Database (LMSD)

Systematic Name
5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12113359
Formula
Exact Mass
Calculate m/z
406.09
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)
KUQFDAPYMLGEMC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O10/c1-25-9-6-7(5-8(20)11(9)21)15-18(27-3)13(23)10-12(22)17(26-2)14(24)19(28-4)16(10)29-15/h5-6,20-22,24H,1-4H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 334.26
Topological Polar Surface Area 148.05
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.22
Molar Refractivity 100.90

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Updated at
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