Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone
Synonyms
LM ID
LMPK12110945
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
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)
UQKOTVMFJYMJEP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-23-10-6-12(21)17-13(22)9-14(28-15(17)7-10)11-8-16(24-2)19(26-4)20(27-5)18(11)25-3/h6-9,21H,1-5H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
185171
METABOLOMICS ID
FL3FALNS0006
PubChem CID
5742693

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 333.98
Topological Polar Surface Area 96.59
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 4.11
Molar Refractivity 102.45

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Updated at
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