Structure Database (LMSD)

Systematic Name
5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Synonyms
LM ID
LMPK12113361
Formula
C20H20O10
Exact Mass
Calculate m/z
420.10565
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)
LNCBEMLMMVNPOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O10/c1-25-15-9(21)6-8(7-10(15)22)14-17(26-2)12(23)11-13(24)18(27-3)20(29-5)19(28-4)16(11)30-14/h6-7,21-22,24H,1-5H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FGGNS0005
PubChem CID
44260074

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 351.56
Topological Polar Surface Area 137.05
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 3.52
Molar Refractivity 105.78

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Updated at
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