Structure Database (LMSD)

Common Name
Kaempferol
Systematic Name
Synonyms
LM ID
LMPK12110003
Status
Active
Exact Mass
Calculate m/z
286.04774
Formula
C15H10O6
Show lipids differing only in stereochemistry/bond geometry
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View ion mobility data
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
IYRMWMYZSQPJKC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C=C3)=C(O)C(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
kaempferol
KEGG ID
C05903
HMDB ID
HMDB0005801
CHEBI ID
28499
PubChem CID
5280863
Cayman ID
11852

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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Created at
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Updated at
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