Structure Database (LMSD)
Common Name
Sophoracarpan B
Systematic Name
(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan
Synonyms
- 6-Methoxymaackiain
3D model of Sophoracarpan B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
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
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Updated at
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