CHEBI:66311 - rostratin B

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ChEBI Name rostratin B
ChEBI ID CHEBI:66311
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 C18H20N2O6S2
Net Charge 0
Average Mass 424.49100
Monoisotopic Mass 424.07628
InChI InChI=1S/C18H20N2O6S2/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/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1
InChIKey ICKHXBRXCAORGF-ZJNFRVSGSA-N
SMILES [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)CC[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)CCC2=O
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 B (CHEBI:66311) has role antineoplastic agent (CHEBI:35610)
rostratin B (CHEBI:66311) has role metabolite (CHEBI:25212)
rostratin B (CHEBI:66311) is a bridged compound (CHEBI:35990)
rostratin B (CHEBI:66311) is a cyclic ketone (CHEBI:3992)
rostratin B (CHEBI:66311) is a diol (CHEBI:23824)
rostratin B (CHEBI:66311) is a lactam (CHEBI:24995)
rostratin B (CHEBI:66311) is a organic disulfide (CHEBI:35489)
rostratin B (CHEBI:66311) is a organic heterohexacyclic compound (CHEBI:51914)
rostratin B (CHEBI:66311) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4S,4aR,6aR,7aS,11S,11aR,13aR,14aS)-4,11-dihydroxydecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone
Registry Number Type Source
10736174 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15332857 PubMed citation Europe PMC
Last Modified
23 April 2013