CHEBI:66313 - rostratin D

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ChEBI Name rostratin D
ChEBI ID CHEBI:66313
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 C18H20N2O6S4
Net Charge 0
Average Mass 488.62100
Monoisotopic Mass 488.02042
InChI InChI=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
InChIKey GCSPJPVOPHGWRM-XPMVLQEKSA-N
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
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 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 Xref Database
9663501 ChemSpider
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Registry Number Type Source
10741156 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15332857 PubMed citation Europe PMC
Last Modified
23 April 2013