Structure Database (LMSD)

Common Name
Sophorapterocarpan A
Systematic Name
3,9-Dihydroxy-8-prenylpterocarpan
Synonyms
  • Homoedudiol
LM ID
LMPK12070008
Formula
C20H20O4
Exact Mass
Calculate m/z
324.13616
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)
AZLNYSCXKUKIRV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=CC(O)=C(C/C=C(/C)\C)C=C4C3COC=2C=1

Other Databases

METABOLOMICS ID
FLID1ANF0002
PubChem CID
14017298

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 300.00
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.50
Molar Refractivity 91.44

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Updated at
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