dysiherbaine

Ligand id: 4185

Name: dysiherbaine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 151.34
Molecular weight 304.13
XLogP -4.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
Database Links
CAS Registry No. 185245-55-0 (source: Scifinder)
ChEMBL Ligand CHEMBL221142
PubChem CID 9839436
RCSB PDB Ligand DYH
Search Google for chemical match using the InChIKey YUSZFKPLFIQTGF-FDNSHYBFSA-N
Search Google for chemicals with the same backbone YUSZFKPLFIQTGF
Comments
Dysiherbaine is an excitatory amino acid isolated from a marine sponge (Dysidea herbacea), with high affinity for kainate ionotropic glutamate receptors [1].