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CHEBI:68734 - chaetoglobosin B

ChEBI IDCHEBI:68734
ChEBI Namechaetoglobosin B
Stars
DefinitionA natural product found in Chaetomium globosum and Chaetomium subaffine.
Last Modified6 February 2018
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@@H](O)C(=O)/C=C/C(=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/h5-7,9-14,16-17,23,25,28-30,33,37-38H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,23-,25-,28-,29+,30+,32+/m0/s1
InChIKeyVUEFRYQBOMQOMV-MLXGBZTESA-N
Species of MetaboliteComponentSourceComments
Chaetomium subaffine (ncbitaxon:1036253) - PubMed (436014)
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 B (CHEBI:68734) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin B (CHEBI:68734) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin B (CHEBI:68734) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin B (CHEBI:68734) is a indoles (CHEBI:24828)
chaetoglobosin B (CHEBI:68734) is a macrocycle (CHEBI:51026)
chaetoglobosin B (CHEBI:68734) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-6,13-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual XrefsDatabases
10406713ChemSpider
Registry NumbersSources
Reaxys:5787084Reaxys
Citations