Structure Database (LMSD)

Common Name
Fisetin
Systematic Name
3,3',4',7-Tetrahydroxyflavone
Synonyms
LM ID
LMPK12111566
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
XHEFDIBZLJXQHF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C=C1

Other Databases

Wikipedia
Fisetin
KEGG ID
C10041
CHEBI ID
42567
METABOLOMICS ID
FL5F1CNS0001
PubChem CID
5281614
Cayman ID
15246
PDB ID
FSE
GuidePharm ID
5182

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.90
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 74.69

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Updated at
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