Structure Database (LMSD)
Common Name
Tricetin 3',4',5'-trimethyl ether
Systematic Name
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Tricetin 3',4',5'-trimethyl ether
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)
CPCPHNWWTJLXKQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
290.59
Topological Polar Surface Area
98.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
3.80
Molar Refractivity
91.01
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Created at
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Updated at
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