Structure Database (LMSD)

Systematic Name
5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
Synonyms
LM ID
LMPK12112749
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WLLOTQCRMSKSCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-9-13(23-2)8-12(21)15-16(22)19(25-4)18(26-17(9)15)10-5-6-11(20)14(7-10)24-3/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

CHEBI ID
193246
METABOLOMICS ID
FL5FDDNM0003
PubChem CID
44259694

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.11
Molar Refractivity 95.75

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Updated at
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