Structure Database (LMSD)

Common Name
Tricetin
Systematic Name
5,7,3',4',5'-Pentahydroxyflavone
Synonyms
LM ID
LMPK12110847
Status
Active
Exact Mass
Calculate m/z
302.042655
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ARSRJFRKVXALTF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(O)C(O)=C(O)C=3)OC=1C=C(O)C=C2O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.69
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.89
Molar Refractivity 76.35

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Updated at
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