Structure Database (LMSD)
Common Name
Emeguisin B
Systematic Name
Synonyms
LM ID
LMPK13080006
Formula
C24H25O5Cl
Exact Mass
Calculate m/z
428.139053
Status
Active
3D model of Emeguisin B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RQNMKGDKKQRCKL-HZOWPXDZSA-N
InChi (Click to copy)
InChI=1S/C24H25ClO5/c1-8-11(3)15-10-16(28-7)13(5)21-18(15)24(27)30-22-14(6)20(26)19(25)17(12(4)9-2)23(22)29-21/h8-10,26H,1-7H3/b11-8+,12-9+
SMILES (Click to copy)
C1(/C(/C)=C/C)=CC(OC)=C(C)C2OC3=C(/C(/C)=C/C)C(Cl)=C(O)C(C)=C3OC(=O)C1=2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Aspergillus unguis
(#40381)
Eurotiomycetes
(#147545)
Isolation and structures of novel fungal depsidones, emeguisins A, B, and C, from Emericella unguis,
J. Chem. Soc., Perkin Trans. 1,, 1988
J. Chem. Soc., Perkin Trans. 1,, 1988
DOI:
10.1039/P19880002611
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
400.28
Topological Polar Surface Area
69.13
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
6.84
Molar Refractivity
119.27
Admin
Created at
4th Feb 2022
Updated at
4th Feb 2022