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CHEBI:68813 - chaetoglobosin G

ChEBI IDCHEBI:68813
ChEBI Namechaetoglobosin G
Stars
DefinitionA cytochalasan alkaloid found in Chaetomium globosum.
Last Modified28 October 2013
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
SMILES[H][C@@]12C(C)=C(C)[C@@H](O)[C@@H]3/C=C/C[C@H](C)/C=C(\C)C(=O)C(=O)CCC(=O)[C@]31C(=O)N[C@H]2Cc1cnc2ccccc12
InChIInChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25,28,30,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,28-,30+,32+/m0/s1
InChIKeyCOZBDBUQXIMMKP-RWFPWACCSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - CiteXplore (c6147)
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 G (CHEBI:68813) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin G (CHEBI:68813) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin G (CHEBI:68813) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin G (CHEBI:68813) is a indoles (CHEBI:24828)
chaetoglobosin G (CHEBI:68813) is a macrocycle (CHEBI:51026)
IUPAC Name 
(3S,3aR,6S,6aR,7E,10S,11E,17aR)-6-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,14,17(2H)-tetrone
Manual XrefsDatabases
4952953ChemSpider
Registry NumbersSources
Reaxys:736489Reaxys
CAS:65773-98-0ChemIDplus
Citations