CAS ID: | 16561-29-8 |
Molecular Formula: | C36H56O8 |
Molecular Weight: | 616.8 g/mol |
Monoisotopic Mass: | 616.3975 g/mol |
Class: | Small Molecule |
Natural Product: | No |
Other Names: | Phorbol Myristate Acetate |
Analysis: | Drug repositioning mechanism analysis |
InChI: | InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1 | See All |
InChI Key: | PHEDXBVPIONUQT-RGYGYFBISA-N | |
Smiles: | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C | See All |
Molfile: | Download |
Reference Record 1
PubChem: | 27924 |
ChEMBL: | CHEMBL279115 |