Structure Database (LMSD)

Common Name
Leachianone F
Systematic Name
5,2',4'-Trihydroxy-5''-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140527
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]
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)
CYGYKDZFDJECKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-6-14-9-17-22(31-25(14,3)4)12-20(29)23-19(28)11-21(30-24(17)23)16-8-7-15(26)10-18(16)27/h5,7-8,10,12,14,21,26-27,29H,6,9,11H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C(C/C=C(/C)\C)CC=1C1OC(C3C=CC(O)=CC=3O)CC(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL2FALNP0023
PubChem CID
42608052

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 401.44
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.48
Molar Refractivity 116.66

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Updated at
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