Structure Database (LMSD)

Common Name
Licoricidin
Systematic Name
5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan
Synonyms
LM ID
LMPK12080045
Formula
C26H32O5
Exact Mass
Calculate m/z
424.224975
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavans [PK1208]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HWJXKLRHGKKFBY-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)28)17-12-21-24(31-14-17)13-23(30-5)20(26(21)29)9-7-16(3)4/h6-8,10-11,13,15,17,27-29H,9,12,14H2,1-5H3/b8-6+
SMILES (Click to copy)
C1(OC)C(C/C=C(\C)/C)=C(O)C2CC(C3C=CC(O)=C(/C=C/C(C)C)C=3O)COC=2C=1

Other Databases

METABOLOMICS ID
FLICALNI0001
PubChem CID
44257516

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 422.31
Topological Polar Surface Area 81.22
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.99
Molar Refractivity 123.87

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Updated at
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