joro toxin

Ligand id: 4229

Name: joro toxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 26
Topological polar surface area 220.93
Molecular weight 565.36
XLogP -2.09
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2S)-N-{5-[3-({4-[(3-aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Database Links
CAS Registry No. 112163-33-4 (source: Scifinder)
ChEBI CHEBI:67806
ChEMBL Ligand CHEMBL313747
PubChem CID 119582
Search Google for chemical match using the InChIKey SJLRBGDPTALRDM-QFIPXVFZSA-N
Search Google for chemicals with the same backbone SJLRBGDPTALRDM
Wikipedia Joro_toxin
Comments
Toxin isolated from the venom of spider species Nephila clavata. There is some ambiguity surrounding the structures representing this compound on other databases. The structure shown here is that of CID 119582, which had the synonym joro spider toxin 3.