CHEBI:66310 - rostratin A

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ChEBI Name rostratin A
ChEBI ID CHEBI:66310
Definition An organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H24N2O6S2
Net Charge 0
Average Mass 428.52300
Monoisotopic Mass 428.10758
InChI InChI=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
InChIKey UJDXMQJEYGMBMN-FQPNBHNHSA-N
SMILES [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])[C@@H](O)CC[C@H](O)[C@@]6([H])N5C3=O)C(=O)N4[C@]1([H])[C@@H](O)CC[C@@H]2O
Metabolite of Species Details
Exserohilum rostratum (NCBI:txid132102) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
9468276 ChemSpider
View more database links
Registry Number Type Source
10739225 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15332857 PubMed citation Europe PMC
Last Modified
23 April 2013