Structure Database (LMSD)

Common Name
2,7-dichlorounguinol
Systematic Name
Synonyms
LM ID
LMPK13080019
Formula
C19H16O5Cl2
Exact Mass
Calculate m/z
394.037481
Status
Active
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)
7-Chlorofolipastatin, an inhibitor of sterol O-acyltransferase, produced by marine-derived Aspergillus ungui NKH-007.,
J Antibiot (Tokyo), 2016
Pubmed ID: 26980608

String Representations

InChiKey (Click to copy)
FCMYLROGVKJIDN-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C19H16Cl2O5/c1-5-7(2)12-15(21)16(23)9(4)17-18(12)25-11-6-10(22)14(20)8(3)13(11)19(24)26-17/h5-6,22-23H,1-4H3/b7-5+
SMILES (Click to copy)
C1(C)=C(Cl)C(O)=CC2OC3=C(/C(/C)=C/C)C(Cl)=C(O)C(C)=C3OC(=O)C1=2

Other Databases

PubChem CID
71494413

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 331.63
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.77
Molar Refractivity 100.07

Admin

Created at
6th Feb 2022
Updated at
6th Feb 2022