Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone
Synonyms
LM ID
LMPK12113145
Formula
C26H28O7
Exact Mass
Calculate m/z
452.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MOGCFWQNDOTUML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O7/c1-15(2)10-12-31-18-8-6-17(7-9-18)23-26(32-13-11-16(3)4)22(29)21-19(27)14-20(28)24(30-5)25(21)33-23/h6-11,14,27-28H,12-13H2,1-5H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=CC(OC/C=C(\C)/C)=CC=3)=C(OC/C=C(\C)/C)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL5FFANI0003
PubChem CID
44259961

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 423.71
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 7.04
Molar Refractivity 128.74

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Updated at
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