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CHEBI:43616 - K-252a

ChEBI IDCHEBI:43616
ChEBI NameK-252a
Stars
DefinitionA organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a
Last Modified8 December 2021
DownloadsMolfile
FormulaC27H21N3O5
Net Charge0
Average Mass467.481
Monoisotopic Mass467.14812
SMILESCOC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
InChIKeyKOZFSFOOLUUIGY-SOLYNIJKSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis sp. K-252a (ncbitaxon:310350) - PubMed (3759657)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
EC 2.7.11.13 (protein kinase C) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
tropomyosin-related kinase B receptor antagonist  An antagonist that binds to and deactivates the tropomyosin-related kinase B (TrkB) receptor, the main signaling receptor of the neurotrophin brain-derived neurotrophic factor (BDNF).
ChEBI Ontology
Outgoing Relation(s)
K-252a (CHEBI:43616) has role antimicrobial agent (CHEBI:33281)
K-252a (CHEBI:43616) has role bacterial metabolite (CHEBI:76969)
K-252a (CHEBI:43616) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
K-252a (CHEBI:43616) has role tropomyosin-related kinase B receptor antagonist (CHEBI:78681)
K-252a (CHEBI:43616) is a bridged compound (CHEBI:35990)
K-252a (CHEBI:43616) is a methyl ester (CHEBI:25248)
K-252a (CHEBI:43616) is a organic heterooctacyclic compound (CHEBI:38165)
K-252a (CHEBI:43616) is a γ-lactam (CHEBI:74222)
Incoming Relation(s)
KT 5720 (CHEBI:85085) has functional parent K-252a (CHEBI:43616)
IUPAC Name 
methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
Synonyms  Source
K252aChemIDplus
SF 2370ChemIDplus
Antibiotic K 252aChemIDplus
Antibiotic SF 2370ChemIDplus
UniProt Name  Source
K-252aUniProt
Manual XrefsDatabases
KSAPDBeChem
Registry NumbersSources
Reaxys:7419675Reaxys
CAS:99533-80-9ChemIDplus
Citations