Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone
Synonyms
LM ID
LMPK12113226
Formula
C23H24O8
Exact Mass
Calculate m/z
428.14712
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)
JBGSDQZIBUGNCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O8/c1-12(2)8-9-30-16-7-6-13(10-17(16)27-3)20-23(29-5)19(26)18-14(24)11-15(25)21(28-4)22(18)31-20/h6-8,10-11,24-25H,9H2,1-5H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(OC/C=C(\C)/C)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFCNI0005
PubChem CID
44260024

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 383.24
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 5.43
Molar Refractivity 116.43

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Updated at
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