EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87838 - iso-precytochalasin

ChEBI IDCHEBI:87838
ChEBI Nameiso-precytochalasin
Stars
DefinitionA cytochalasan alkaloid found in Aspergillus clavatus.
Last Modified3 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H33NO4
Net Charge0
Average Mass447.575
Monoisotopic Mass447.24096
SMILES[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]13OC(=O)C/C=C(\C)C(=O)[C@@H](C)C/C=C/[C@H]3C=C(C)[C@H]2C
InChIInChI=1S/C28H33NO4/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)33-24(30)14-13-18(2)26(17)31/h5-8,10-13,15,17,20,22-23,25H,9,14,16H2,1-4H3,(H,29,32)/b12-8+,18-13+/t17-,20+,22-,23-,25-,28+/m0/s1
InChIKeyWVTWBOYGCFLJLV-JDQBXGEPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus (ncbitaxon:5057) - PubMed (24838010)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
iso-precytochalasin (CHEBI:87838) has role Aspergillus metabolite (CHEBI:76956)
iso-precytochalasin (CHEBI:87838) is a cyclic ketone (CHEBI:3992)
iso-precytochalasin (CHEBI:87838) is a cytochalasan alkaloid (CHEBI:75946)
iso-precytochalasin (CHEBI:87838) is a enone (CHEBI:51689)
iso-precytochalasin (CHEBI:87838) is a macrolide (CHEBI:25106)
iso-precytochalasin (CHEBI:87838) is a organic heterotricyclic compound (CHEBI:26979)
iso-precytochalasin (CHEBI:87838) is a γ-lactam (CHEBI:74222)
IUPAC Name 
(4E,7S,9E,10aS,13S,13aS,14S,16aR)-14-benzyl-5,7,12,13-tetramethyl-8,10a,13,13a,14,15-hexahydro-2H-oxacyclododecino[2,3-d]isoindole-2,6,16(3H,7H)-trione
Synonym  Source
isoprecytochalasinChEBI
UniProt Name  Source
iso-precytochalasinUniProt
Registry NumbersSources
Reaxys:27722606Reaxys
Citations