Structure Database (LMSD)

Common Name
Sanggenol N
Systematic Name
(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Synonyms
LM ID
LMPK12140525
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)
MKFGDBFFGQCOGU-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-6-14-9-17(23(29)16-7-8-25(3,4)31-24(14)16)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=C(C/C=C(\C)/C)C4OC(C)(C)C=CC=4C=3O)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FALNP0021
PubChem CID
42608051

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 398.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.49
Molar Refractivity 117.58

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Updated at
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