Structure Database (LMSD)

O O O HO OH O O
Common Name
Tricetin 3',4',5'-trimethyl ether
Systematic Name
5,7-Dihydroxy-3',4',5'-trimethoxyflavone
Synonyms
LM ID
LMPK12110880
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

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

HMDB ID
HMDB0037692
CHEBI ID
543745
METABOLOMICS ID
FL3FAKNS0002
PubChem CID
5379265

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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Updated at
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