Structure Database (LMSD)

Common Name
Glabrescione B
Systematic Name
5,7-Dimethoxy-3',4'-diprenyloxyisoflavone
Synonyms
LM ID
LMPK12050359
Formula
C27H30O6
Exact Mass
Calculate m/z
450.20424
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RHXDATRKLOYVTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H30O6/c1-17(2)9-11-31-22-8-7-19(13-23(22)32-12-10-18(3)4)21-16-33-25-15-20(29-5)14-24(30-6)26(25)27(21)28/h7-10,13-16H,11-12H2,1-6H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=CC(OC/C=C(\C)/C)=C(OC/C=C(\C)/C)C=3)C(=O)C=2C(OC)=C1

Other Databases

CHEBI ID
186122
METABOLOMICS ID
FLIADCNI0001
PubChem CID
44257338

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 432.22
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 7.64
Molar Refractivity 131.96

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Updated at
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