K 252a

Chemical Information
K-252a is a organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a. It has a role as an antimicrobial agent, an EC 2.7.11.13 (protein kinase C) inhibitor, a bacterial metabolite and a tropomyosin-related kinase B receptor antagonist. It is a methyl ester, a bridged compound, an organic heterooctacyclic compound and a gamma-lactam.
| CAS Number | 99533-80-9 |
| PubChem CID | 3035817 |
| IUPAC Name | methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate |
| Molecular Formula | C27H21N3O5 |
| Molecular Weight | 467.5 |
| XLogP | 2.8 |
| Topological Polar Surface Area | 94.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 976 |
| Property | Value |
|---|---|
| Molecular Weight | 467.5 |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 467.14812078 |
| Monoisotopic Mass | 467.14812078 |
| Topological Polar Surface Area | 94.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 976 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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