Item 1 of 1 (back to results) 9-deacetoxyfumigaclavine C An ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562).

Current search: 05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > antineoplastic agent [CHEBI:35610] > 9-deacetoxyfumigaclavine C [CHEBI:65724] × Select any link to see items in a related category. more general categories    information about this item 03. Biological Effects of Specific Chemicals  03. Biological Effects of Specific Chemicals  biochemical uses [CHEBI:52206] (3306)   metabolite [CHEBI:25212] (2692)   secondary metabolite [CHEBI:26619] (2225)   9-deacetoxyfumigaclavine C [CHEBI:65724] (1) 05. Industrial Uses  05. Industrial Uses  pharmaceutical [CHEBI:52217] (1978)   drug [CHEBI:23888] (1930)   antineoplastic agent [CHEBI:35610] (760)   9-deacetoxyfumigaclavine C [CHEBI:65724] (1) 06. Name of Biological Source of Chemical  06. Name of Biological Source of Chemical  Fungi, Yeasts, Molds and Mildews (348)   Deuteromycotina (255)   Hyphomycetes (137)   Aspergillus (96)   Aspergillus fumigatus (12) 07. Part of Biological Source of Chemical  07. Part of Biological Source of Chemical  unspecified structure [PO:0000004] (703) 08. Chemical Category  08. Chemical Category  main group molecular entity [CHEBI:33579] (25650)   p-block molecular entity [CHEBI:33675] (25343)   pnictogen molecular entity [CHEBI:33302] (10027)   nitrogen molecular entity [CHEBI:51143] (7930)   organonitrogen compound [CHEBI:35352] (6705)   alkaloid [CHEBI:22315] (473)   indole alkaloid [CHEBI:38958] (144)   terpenoid indole alkaloid [CHEBI:65321] (57)   hemiterpenoid indole alkaloid [CHEBI:65322] (28)   ergot alkaloid [CHEBI:23943] (28)   9-deacetoxyfumigaclavine C [CHEBI:65724] (1)  carbon group molecular entity [CHEBI:33582] (23847)   organic molecular entity [CHEBI:50860] (23769)   heteroorganic entity [CHEBI:33285] (15197)   organonitrogen compound [CHEBI:35352] (6705)   alkaloid [CHEBI:22315] (473)   indole alkaloid [CHEBI:38958] (144)   terpenoid indole alkaloid [CHEBI:65321] (57)   hemiterpenoid indole alkaloid [CHEBI:65322] (28)   ergot alkaloid [CHEBI:23943] (28)   9-deacetoxyfumigaclavine C [CHEBI:65724] (1) ChEBI Compound Accession Identifier:   [CHEBI:65724] ChEBI Compound Description:   An ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562). ChEBI Compound Identification Number:   65724 ChEBI InChI Value:   InChI=1S/C21H28N2/c1-6-21(3,4)20-16-11-18-15(10-13(2)12-23(18)5)14-8-7-9-17(22-20)19(14)16/h6-9,13,15,18,22H,1,10-12H2,2-5H3/t13-,15-,18-/m1/s1 ChEBI InChIKey Value:   GXEMWNLJOIOIIM-DDUZABMNSA-N ChEBI Compound Name:   9-deacetoxyfumigaclavine C ChEBI SMILES Value:   [H][C@@]12Cc3c([nH]c4cccc(c34)[C@@]1([H])C[C@@H](C)CN2C)C(C)(C)C=C ChEBI Substance ID:   160709545 ChEBI URL:   ChEBI:65724 ChemSpider ID:   24626669 Ontomatica Chemical Accession Key (OnChAKey):   GXEMWNLJOIOIIM_DDUZABMNSA_N_000_000000 PubChem Compound ID:   42640299