Structure Database (LMSD)

Systematic Name
4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone
Synonyms
LM ID
LMPK12112744
Formula
C23H24O7
Exact Mass
Calculate m/z
412.152205
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MGHQLMRCBBYPDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O7/c1-13(2)8-9-29-15-11-18(27-4)20-19(12-15)30-22(23(28-5)21(20)25)14-6-7-16(24)17(10-14)26-3/h6-8,10-12,24H,9H2,1-5H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FDDNI0004
PubChem CID
13942545

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 374.45
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 5.72
Molar Refractivity 114.76

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Updated at
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