microcystin-LR

Ligand id: 4735

Name: microcystin-LR

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 22
Hydrogen bond donors 10
Rotatable bonds 15
Topological polar surface area 343.14
Molecular weight 994.55
XLogP 2.37
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Synonyms
toxin-LR
Database Links
CAS Registry No. 77238-39-2 (source: Scifinder)
ChEBI CHEBI:6925
ChEMBL Ligand CHEMBL444092
PubChem CID 445434
Search Google for chemical match using the InChIKey ZYZCGGRZINLQBL-GWRQVWKTSA-N
Search Google for chemicals with the same backbone ZYZCGGRZINLQBL
Wikipedia Microcystin-LR