Structure Database (LMSD)

Common Name
Prebarbigerone
Systematic Name
7,2',4',5'-Tetramethoxy-8-prenylisoflavone
Synonyms
LM ID
LMPK12050072
Formula
C24H26O6
Exact Mass
Calculate m/z
410.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RJNWIKZTUCDSTR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H26O6/c1-14(2)7-8-15-19(26-3)10-9-16-23(25)18(13-30-24(15)16)17-11-21(28-5)22(29-6)12-20(17)27-4/h7,9-13H,8H2,1-6H3
SMILES (Click to copy)
C1(OC)C=CC2C(=O)C(C3=C(OC)C=C(OC)C(OC)=C3)=COC=2C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FLIA1LNI0005
PubChem CID
14730816

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 382.96
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.90
Molar Refractivity 117.37

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Updated at
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