Structure Database (LMSD)
Common Name
Boeravinone A methyl ether
Systematic Name
Synonyms
3D model of Boeravinone A methyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
VVZRLSBUBGUTQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-9-12(22-2)8-13-15(16(9)20)17(21)14-10-6-4-5-7-11(10)25-19(23-3)18(14)24-13/h4-8,14,18-20H,1-3H3
SMILES (Click to copy)
C1(OC)C=C2OC3C(OC)OC4=CC=CC=C4C3C(=O)C2=C(O)C=1C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
300.28
Topological Polar Surface Area
78.36
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.37
Molar Refractivity
89.77
Admin
Created at
2nd Jun 2020
Updated at
10th Feb 2021