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CHEBI:66313 - rostratin D

ChEBI IDCHEBI:66313
ChEBI Namerostratin D
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
FormulaC18H20N2O6S4
Net Charge0
Average Mass488.634
Monoisotopic Mass488.02042
SMILES[H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@@H](S)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](S)CC2=O
InChIInChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11-,12-,13+,14+,17-,18-/m1/s1
InChIKeyGCSPJPVOPHGWRM-XPMVLQEKSA-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 D (CHEBI:66313) has role antineoplastic agent (CHEBI:35610)
rostratin D (CHEBI:66313) has role metabolite (CHEBI:25212)
rostratin D (CHEBI:66313) is a bridged compound (CHEBI:35990)
rostratin D (CHEBI:66313) is a cyclic ketone (CHEBI:3992)
rostratin D (CHEBI:66313) is a diol (CHEBI:23824)
rostratin D (CHEBI:66313) is a dithiol (CHEBI:23853)
rostratin D (CHEBI:66313) is a lactam (CHEBI:24995)
rostratin D (CHEBI:66313) is a organic disulfide (CHEBI:35489)
rostratin D (CHEBI:66313) is a organic heterohexacyclic compound (CHEBI:51914)
rostratin D (CHEBI:66313) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,4R,4aR,6aR,7aS,10R,11R,11aR,13aR,14aR)-4,11-dihydroxy-3,10-disulfanyldecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone
Manual XrefsDatabases
9663501ChemSpider
Registry NumbersSources
Reaxys:10741156Reaxys
Citations