Structure Database (LMSD)
Common Name
Sandwicensin
Systematic Name
3-Hydroxy-9-methoxy-10-prenylpterocarpan
Synonyms
3D model of Sandwicensin
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)
ZFUZIYGRFSXEIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,17,21-22H,6,11H2,1-3H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=C(C/C=C(/C)\C)C(OC)=CC=C4C3COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
317.30
Topological Polar Surface Area
52.06
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
4.80
Molar Refractivity
96.33
Admin
Created at
-
Updated at
-