wortmannin

Ligand id: 6060

Name: wortmannin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 109.11
Molecular weight 428.15
XLogP -0.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate
Synonyms
antibiotic SL-2052
KY 12420
Database Links
CAS Registry No. 19545-26-7
ChEBI CHEBI:52289
ChEMBL Ligand CHEMBL428496
DrugBank Ligand DB08059
PubChem CID 312145
RCSB PDB Ligand KWT
Search Google for chemical match using the InChIKey QDLHCMPXEPAAMD-QAIWCSMKSA-N
Search Google for chemicals with the same backbone QDLHCMPXEPAAMD
Wikipedia Wortmannin
Comments
Wortmannin is extracted from Penicillium funiculosum. The compound is a specific, covalent inhibitor of phosphoinositide 3-kinases (PI3Ks).