Structure Database (LMSD)
Common Name
Tricin
Systematic Name
5,7,4'-Trihydroxy-3',5'-dimethoxyflavone
Synonyms
3D model of Tricin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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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