Structure Database (LMSD)

Common Name
3'-Dimethylallylkievitone
Systematic Name
5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
Synonyms
LM ID
LMPK12050490
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
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)
FSHPJPOJLGCQOJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=C(O)C(C/C=C(/C)\C)=C(O)C=C3)COC=2C=1C/C=C(/C)\C

Other Databases

HMDB ID
HMDB0031743
CHEBI ID
173269
METABOLOMICS ID
FLIBALNI0012
PubChem CID
480785

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.17
Molar Refractivity 118.87

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Updated at
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