Structure Database (LMSD)

Common Name
Emeguisin C
Systematic Name
Synonyms
LM ID
LMPK13080007
Formula
C24H24O5Cl2
Exact Mass
Calculate m/z
462.100081
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Depsides and depsidones [PK1308]

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

String Representations

InChiKey (Click to copy)
HRDSSBUAAKJCNT-GFULKKFKSA-N
InChi (Click to copy)
InChI=1S/C24H24Cl2O5/c1-8-10(3)14-16-20(12(5)19(27)17(14)25)30-23-15(11(4)9-2)18(26)21(29-7)13(6)22(23)31-24(16)28/h8-9,27H,1-7H3/b10-8+,11-9+
SMILES (Click to copy)
C1(/C(/C)=C/C)=C(Cl)C(O)=C(C)C2OC3=C(/C(/C)=C/C)C(Cl)=C(OC)C(C)=C3OC(=O)C1=2

Other Databases

PubChem CID
14164495

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 415.49
Topological Polar Surface Area 69.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 7.50
Molar Refractivity 124.28

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Created at
4th Feb 2022
Updated at
4th Feb 2022