Structure Database (LMSD)

Systematic Name
5-Methoxy-7,8-diprenylflavone
Synonyms
LM ID
LMPK12110096
Formula
C26H28O3
Exact Mass
Calculate m/z
388.203845
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)
MIFWJGYYWFGFJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O3/c1-17(2)11-13-20-15-24(28-5)25-22(27)16-23(19-9-7-6-8-10-19)29-26(25)21(20)14-12-18(3)4/h6-12,15-16H,13-14H2,1-5H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL3F99NI0001
PubChem CID
44257598

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 388.55
Topological Polar Surface Area 39.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 7.39
Molar Refractivity 120.85

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Updated at
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