Structure Database (LMSD)

Common Name
Hispaglabridin B
Systematic Name
Synonyms
LM ID
LMPK12080020
Formula
C25H26O4
Exact Mass
Calculate m/z
390.18311
Status
Active
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)
CJUFYKORDZSOLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OCC(C3C=CC4OC(C)(C)C=CC=4C=3O)CC=1C=C2

Other Databases

HMDB ID
HMDB0038103
CHEBI ID
175116
METABOLOMICS ID
FLIC1LNP0009
PubChem CID
5318057

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 371.50
Topological Polar Surface Area 54.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.34
Molar Refractivity 115.48

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Updated at
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