paxilline

Ligand id: 2309

Name: paxilline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 82.55
Molecular weight 435.24
XLogP 3.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-8-one
Database Links
CAS Registry No. 57186-25-1 (source: Scifinder)
PubChem CID 4697
Search Google for chemical match using the InChIKey ACNHBCIZLNNLRS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ACNHBCIZLNNLRS
Search UniChem for chemical match using the InChIKey ACNHBCIZLNNLRS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ACNHBCIZLNNLRS
Wikipedia Paxilline