Structure Database (LMSD)

Common Name
1'''-Hydroxy-2''',3'''-Epoxylupinifolin
Systematic Name
5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
Synonyms
LM ID
LMPK12140323
Formula
C25H26O7
Exact Mass
Calculate m/z
438.167855
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)
XEUUWHJBYVEMMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O7/c1-24(2)10-9-14-19(28)17-15(27)11-16(12-5-7-13(26)8-6-12)30-22(17)18(21(14)31-24)20(29)23-25(3,4)32-23/h5-10,16,20,23,26,28-29H,11H2,1-4H3
SMILES (Click to copy)
C12C(O)=C3C=CC(C)(C)OC3=C(C(O)C3OC3(C)C)C=1OC(C1C=CC(O)=CC=1)CC2=O

Other Databases

CHEBI ID
185295
METABOLOMICS ID
FL2FAANP0018
PubChem CID
42607940

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 397.87
Topological Polar Surface Area 112.89
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.06
Molar Refractivity 117.72

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Updated at
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