Structure Database (LMSD)

Common Name
Sophoracarpan B
Systematic Name
(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan
Synonyms
  • 6-Methoxymaackiain
LM ID
LMPK12070141
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Curated
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)
BARRXUGKUYTIQH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-19-17-15-10-5-13-14(21-7-20-13)6-12(10)22-16(15)9-3-2-8(18)4-11(9)23-17/h2-6,15-18H,7H2,1H3
SMILES (Click to copy)
C1(O)=CC2OC(OC)C3C4C=C5OCOC5=CC=4OC3C=2C=C1

Other Databases

METABOLOMICS ID
FLIDHYNS0004
PubChem CID
14704594

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 255.96
Topological Polar Surface Area 74.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.99
Molar Refractivity 78.72

Admin

Created at
-
Updated at
-