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CHEBI:68735 - chaetoglobosin J

ChEBI IDCHEBI:68735
ChEBI Namechaetoglobosin J
Stars
DefinitionA cytochalasan alkaloid found in Chaetomium globosum.
Last Modified6 February 2018
DownloadsMolfile
FormulaC32H36N2O4
Net Charge0
Average Mass512.650
Monoisotopic Mass512.26751
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3C=C(C)[C@H]2C
InChIInChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1
InChIKeyXSYISNGSIFFBMR-YGCMOINNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15497948)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
chaetoglobosin J (CHEBI:68735) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin J (CHEBI:68735) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin J (CHEBI:68735) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin J (CHEBI:68735) is a indoles (CHEBI:24828)
chaetoglobosin J (CHEBI:68735) is a macrocycle (CHEBI:51026)
chaetoglobosin J (CHEBI:68735) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3S,3aR,4S,6aS,7E,10S,11E,13R,15E,17aS)-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual XrefsDatabases
4952952ChemSpider
Registry NumbersSources
Reaxys:735570Reaxys
CAS:65745-47-3ChemIDplus
Citations