Structure Database (LMSD)

Common Name
7,4'-Dihydroxy-6,8-di-C-prenylflavanone
Systematic Name
Synonyms
LM ID
LMPK12140035
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MLXUEMGNSDHQTJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-15(2)5-7-18-13-21-22(27)14-23(17-8-10-19(26)11-9-17)29-25(21)20(24(18)28)12-6-16(3)4/h5-6,8-11,13,23,26,28H,7,12,14H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2F1ANI0002
PubChem CID
42607812

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.82
Molar Refractivity 114.80

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Updated at
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