Structure Database (LMSD)

Common Name
4'-O-Prenylalpinumisoflavone
Systematic Name
Synonyms
LM ID
LMPK12050206
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
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)
OHVOXMFXCZKNPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-15(2)10-12-28-17-7-5-16(6-8-17)19-14-29-21-13-20-18(9-11-25(3,4)30-20)23(26)22(21)24(19)27/h5-11,13-14,26H,12H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC=C(OC/C=C(/C)\C)C=C3)=COC=1C=2

Other Databases

METABOLOMICS ID
FLIAAANP0006
PubChem CID
5459223

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 376.47
Topological Polar Surface Area 70.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 7.17
Molar Refractivity 119.36

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Updated at
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