EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84381 - chondramide B

ChEBI IDCHEBI:84381
ChEBI Namechondramide B
Stars
DefinitionA chondramide that is chondramide A in which the hydrogen at position 2 of the indole moiety has been replaced by a chlorine. It is produced by strains of the myxobacterium, Chondromyces crocatus.
Last Modified20 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H45ClN4O7
Net Charge0
Average Mass681.230
Monoisotopic Mass680.29768
SMILES[H][C@@]1(OC)C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@]([H])(Cc2c(Cl)nc3ccccc23)C(=O)N[C@H]1c1ccc(O)cc1
InChIInChI=1S/C36H45ClN4O7/c1-19-16-20(2)23(5)48-36(46)31(47-7)30(24-12-14-25(42)15-13-24)40-34(44)29(18-27-26-10-8-9-11-28(26)39-32(27)37)41(6)35(45)22(4)38-33(43)21(3)17-19/h8-16,20-23,29-31,39,42H,17-18H2,1-7H3,(H,38,43)(H,40,44)/b19-16+/t20-,21+,22+,23-,29-,30+,31+/m1/s1
InChIKeySRZJEPUYAKAFIE-KCQCJHCESA-N
Species of MetaboliteComponentSourceComments
Chondromyces crocatus (ncbitaxon:52) - PubMed (8557566)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
chondramide B (CHEBI:84381) has functional parent chondramide A (CHEBI:84380)
chondramide B (CHEBI:84381) has role antineoplastic agent (CHEBI:35610)
chondramide B (CHEBI:84381) has role bacterial metabolite (CHEBI:76969)
chondramide B (CHEBI:84381) is a chondramide (CHEBI:84384)
chondramide B (CHEBI:84381) is a indoles (CHEBI:24828)
chondramide B (CHEBI:84381) is a organochlorine compound (CHEBI:36683)
chondramide B (CHEBI:84381) is a phenols (CHEBI:33853)
IUPAC Name 
(3S,4S,7R,10S,13S,15E,17R,18R)-7-[(2-chloro-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:22176312Reaxys
Reaxys:7404961Reaxys
Citations