Structure Database (LMSD)

Systematic Name
3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone
Synonyms
LM ID
LMPK12113228
Formula
C24H24O8
Exact Mass
Calculate m/z
440.14712
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)
VQXYWNMNFIVUBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O8/c1-13(2)8-9-29-18-11-17(26-3)19-20(25)24(28-5)21(32-23(19)22(18)27-4)14-6-7-15-16(10-14)31-12-30-15/h6-8,10-11H,9,12H2,1-5H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(OC)C2OC(C3C=CC4OCOC=4C=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FFCNI0007
PubChem CID
13942547

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 388.18
Topological Polar Surface Area 89.73
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 5.74
Molar Refractivity 119.22

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Updated at
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