Structure Database (LMSD)

Common Name
Tricin
Systematic Name
5,7,4'-Trihydroxy-3',5'-dimethoxyflavone
Synonyms
LM ID
LMPK12110873
Formula
Exact Mass
Calculate m/z
330.073955
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
HRGUSFBJBOKSML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(OC)C(O)=C(OC)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
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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