LTK-14

Ligand id: 8385

Name: LTK-14

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 89.9
Molecular weight 616.38
XLogP 8.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,3S,9R,11R)-7-(3-hydroxy-4-methoxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
Synonyms
14-methoxy IG (isogarcinol) | LTK14
Database Links
PubChem CID 25226432
Search Google for chemical match using the InChIKey GEMUMPJYCDKSDU-OAKZDBKWSA-N
Search Google for chemicals with the same backbone GEMUMPJYCDKSDU
Search UniChem for chemical match using the InChIKey GEMUMPJYCDKSDU-OAKZDBKWSA-N
Search UniChem for chemicals with the same backbone GEMUMPJYCDKSDU
Comments
LTK-14 is a derivative of the natural product garcinol. The structure was drawn from the image in [1], in which the compound is described as a selective inhibitor of histone acetyltransferase p300 (eq. K(lysine) acetyltransferase 2B, KAT2B- also known as p300/CBP-associated factor).