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CHEBI:84383 - chondramide D

ChEBI IDCHEBI:84383
ChEBI Namechondramide D
Stars
DefinitionA chondramide that is chondramide C in which the hydrogen at position 2 of the indole moiety is replaced by a chlorine. It is produced by strains of the myxobacterium, Chondromyces crocatus.
Last Modified20 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC35H43ClN4O6
Net Charge0
Average Mass651.204
Monoisotopic Mass650.28711
SMILES[H][C@@]1(Cc2c(Cl)nc3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1C
InChIInChI=1S/C35H43ClN4O6/c1-19-15-20(2)23(5)46-31(42)18-29(24-11-13-25(41)14-12-24)39-34(44)30(17-27-26-9-7-8-10-28(26)38-32(27)36)40(6)35(45)22(4)37-33(43)21(3)16-19/h7-15,20-23,29-30,38,41H,16-18H2,1-6H3,(H,37,43)(H,39,44)/b19-15+/t20-,21+,22+,23-,29-,30-/m1/s1
InChIKeyIWARTZQXZZVCBY-AJVIBBBTSA-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 D (CHEBI:84383) has functional parent chondramide C (CHEBI:84382)
chondramide D (CHEBI:84383) has role antineoplastic agent (CHEBI:35610)
chondramide D (CHEBI:84383) has role bacterial metabolite (CHEBI:76969)
chondramide D (CHEBI:84383) is a chondramide (CHEBI:84384)
chondramide D (CHEBI:84383) is a indoles (CHEBI:24828)
chondramide D (CHEBI:84383) is a phenols (CHEBI:33853)
IUPAC Name 
(4R,7R,10S,13S,15E,17R,18R)-7-[(2-chloro-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:7404326Reaxys
Citations