Structure Database (LMSD)

Common Name
Erybraedin A
Systematic Name
(6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan
Synonyms
  • 4-Prenylphaseollidin
LM ID
LMPK12070044
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HOGHBEDTLGAJAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OCC3C4C=CC(O)=C(C/C=C(/C)\C)C=4OC3C=2C=C1

Other Databases

HMDB ID
HMDB0038872
METABOLOMICS ID
FLID1CNI0005
PubChem CID
362562

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 383.86
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.01
Molar Refractivity 114.58

Admin

Created at
-
Updated at
-