Structure Database (LMSD)

Systematic Name
4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Synonyms
LM ID
LMPK12113224
Formula
C24H26O8
Exact Mass
Calculate m/z
442.162771
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
WJFJLAXLXSENEO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H26O8/c1-13(2)9-10-31-18-12-17(28-4)19-20(26)24(30-6)21(32-23(19)22(18)29-5)14-7-8-15(25)16(11-14)27-3/h7-9,11-12,25H,10H2,1-6H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

CHEBI ID
187184
METABOLOMICS ID
FL5FFCNI0003
PubChem CID
44260023

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 400.54
Topological Polar Surface Area 96.59
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 5.73
Molar Refractivity 121.32

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Updated at
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