Structure Database (LMSD)

Common Name
2''',3'''-Epoxylupinifolin
Systematic Name
2'',3''-Epoxylupinifolin
Synonyms
  • (2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
LM ID
LMPK12140321
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Curated
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)
FFNJMGHENBNOAP-OYKVQYDMSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19?/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=1C=2CC1C(C)(C)O1

Other Databases

METABOLOMICS ID
FL2FAANP0016
PubChem CID
11742974

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 389.08
Topological Polar Surface Area 92.66
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.57
Molar Refractivity 116.46

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Updated at
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