CHEBI:84381 - chondramide B

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ChEBI Name chondramide B ChEBI ID CHEBI:84381 Definition A chondramide that is chondramide A in which the hydrogen at position 2 of the indole moiety has been replaced by a chlorine.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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H45ClN4O7 Net Charge 0 Average Mass 681.21800 Monoisotopic Mass 680.29768 InChI InChI=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 InChIKey SRZJEPUYAKAFIE-KCQCJHCESA-N SMILES CO[C@H]1[C@@H](NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@@H](C)[C@@H](C)OC1=O)c1ccc(O)cc1 Metabolite of Species Details Chondromyces crocatus (NCBI:txid52) See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via chondramide ) Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Numbers Types Sources 22176312 Reaxys Registry Number Reaxys 7404961 Reaxys Registry Number Reaxys Citation Type Source 8557566 PubMed citation Europe PMC Last Modified 20 January 2015