phorbol 12-myristate 13-acetate

Ligand id: 2341

Name: phorbol 12-myristate 13-acetate

Abbreviated name: PMA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 130.36
Molecular weight 616.4
XLogP 6.51
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate
Synonyms
12-O-tetradecanoylphorbol-13-acetate | tetradecanoyl-β-phorbol acetate | TPA
Database Links
BindingDB Ligand 50099066
CAS Registry No. 16561-29-8 (source: Scifinder)
ChEMBL Ligand CHEMBL279115
PubChem CID 27924
Search Google for chemical match using the InChIKey PHEDXBVPIONUQT-RGYGYFBISA-N
Search Google for chemicals with the same backbone PHEDXBVPIONUQT
Search UniChem for chemical match using the InChIKey PHEDXBVPIONUQT-RGYGYFBISA-N
Search UniChem for chemicals with the same backbone PHEDXBVPIONUQT
Wikipedia 12-O-Tetradecanoylphorbol-13-acetate