cladosporin

Ligand id: 10247

Name: cladosporin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.99
Molecular weight 292.13
XLogP 2.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Ligand families/groups Antimalarial ligands
IUPAC Name
(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Synonyms
asperentin
Comments
Cladosporin is a tricyclic octaketide that is a secondary metabolite produced by several fungal genera including Cladosporium and Aspergillus. Cladosporin exhibits broad-spectrum bioactivity, including antimalarial, antifungal, antibiotic, plant growth inhibitory properties and mammalian anti-inflammatory effects.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 35818-31-6 (source: Scifinder)
ChEMBL Ligand CHEMBL448685
GtoPdb PubChem SID 381744929
PubChem CID 13990016
RCSB PDB Ligand KRS
Search Google for chemical match using the InChIKey WOMKDMUZNBFXKG-ZWKOPEQDSA-N
Search Google for chemicals with the same backbone WOMKDMUZNBFXKG
Search UniChem for chemical match using the InChIKey WOMKDMUZNBFXKG-ZWKOPEQDSA-N
Search UniChem for chemicals with the same backbone WOMKDMUZNBFXKG