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CHEBI:66310 - rostratin A

ChEBI IDCHEBI:66310
ChEBI Namerostratin A
Stars
DefinitionAn organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
Last Modified23 April 2013
DownloadsMolfile
FormulaC18H24N2O6S2
Net Charge0
Average Mass428.532
Monoisotopic Mass428.10758
SMILES[H][C@@]12[C@@H](O)CC[C@H](O)[C@@]1([H])C[C@@]13SS[C@]4(C[C@]5([H])[C@@H](O)CC[C@H](O)[C@@]5([H])N4C1=O)C(=O)N23
InChIInChI=1S/C18H24N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-14,21-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKeyUJDXMQJEYGMBMN-FQPNBHNHSA-N
Species of MetaboliteComponentSourceComments
Exserohilum rostratum (ncbitaxon:132102) - PubMed (15332857)
Roles Classification
Biological Role:
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)
rostratin A (CHEBI:66310) has role antineoplastic agent (CHEBI:35610)
rostratin A (CHEBI:66310) has role metabolite (CHEBI:25212)
rostratin A (CHEBI:66310) is a bridged compound (CHEBI:35990)
rostratin A (CHEBI:66310) is a lactam (CHEBI:24995)
rostratin A (CHEBI:66310) is a organic disulfide (CHEBI:35489)
rostratin A (CHEBI:66310) is a organic heterohexacyclic compound (CHEBI:51914)
rostratin A (CHEBI:66310) is a secondary alcohol (CHEBI:35681)
rostratin A (CHEBI:66310) is a tetrol (CHEBI:33573)
IUPAC Name 
(1S,4S,4aS,6aR,7aS,8S,11S,11aS,13aR,14aS)-1,4,8,11-tetrahydroxydodecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13-dione
Manual XrefsDatabases
9468276ChemSpider
Registry NumbersSources
Reaxys:10739225Reaxys
Citations