Structure Database (LMSD)

Common Name
Barbigerone
Systematic Name
Synonyms
  • Lonchocarpusone
LM ID
LMPK12050076
Formula
C23H22O6
Exact Mass
Calculate m/z
394.14164
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)
OBIUGMGQVQMVSK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=1C=C2

Other Databases

Wikipedia
Barbigerone
METABOLOMICS ID
FLIA1LNP0003
PubChem CID
156793
PDB ID
J6L

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 353.30
Topological Polar Surface Area 69.20
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.86
Molar Refractivity 111.94

Admin

Created at
-
Updated at
-