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CHEBI:66312 - rostratin C

ChEBI IDCHEBI:66312
ChEBI Namerostratin C
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
FormulaC20H24N2O8S2
Net Charge0
Average Mass484.552
Monoisotopic Mass484.09741
SMILES[H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@H](OC)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@@H](OC)CC2=O
InChIInChI=1S/C20H24N2O8S2/c1-29-11-3-9(23)7-5-19-18(28)22-14-8(10(24)4-12(30-2)16(14)26)6-20(22,32-31-19)17(27)21(19)13(7)15(11)25/h7-8,11-16,25-26H,3-6H2,1-2H3/t7-,8-,11+,12+,13-,14-,15+,16+,19-,20-/m1/s1
InChIKeyWZZFRBNMRXVFNQ-UDLXUQTMSA-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 C (CHEBI:66312) has role antineoplastic agent (CHEBI:35610)
rostratin C (CHEBI:66312) has role metabolite (CHEBI:25212)
rostratin C (CHEBI:66312) is a bridged compound (CHEBI:35990)
rostratin C (CHEBI:66312) is a cyclic ketone (CHEBI:3992)
rostratin C (CHEBI:66312) is a diol (CHEBI:23824)
rostratin C (CHEBI:66312) is a ether (CHEBI:25698)
rostratin C (CHEBI:66312) is a lactam (CHEBI:24995)
rostratin C (CHEBI:66312) is a organic disulfide (CHEBI:35489)
rostratin C (CHEBI:66312) is a organic heterohexacyclic compound (CHEBI:51914)
rostratin C (CHEBI:66312) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,4R,4aR,6aR,7aS,10S,11R,11aR,13aR,14aS)-4,11-dihydroxy-3,10-dimethoxydecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone
Manual XrefsDatabases
9423742ChemSpider
Registry NumbersSources
Reaxys:10738615Reaxys
Citations