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CHEBI:66415 - muqubilone

ChEBI IDCHEBI:66415
ChEBI Namemuqubilone
Stars
DefinitionA sesterterpenoid isolated from Red Sea sponge Diacarnus erythraeanus and has been shown to exhibit anti-HSV-1 activity.
Last Modified11 April 2013
DownloadsMolfile
FormulaC24H40O6
Net Charge0
Average Mass424.578
Monoisotopic Mass424.28249
SMILES[H][C@@]1([C@@H](C)C(=O)O)CC[C@](C)(CC/C=C(\C)CCC(=O)C(C)(C)CCCC(C)=O)OO1
InChIInChI=1S/C24H40O6/c1-17(11-12-21(26)23(4,5)14-8-10-18(2)25)9-7-15-24(6)16-13-20(29-30-24)19(3)22(27)28/h9,19-20H,7-8,10-16H2,1-6H3,(H,27,28)/b17-9+/t19-,20+,24+/m1/s1
InChIKeyUCWHHFGTUDDROG-DNKDVBPTSA-N
Species of MetaboliteComponentSourceComments
Diacarnus erythraeanus (WORMS:168712) - PubMed (11325240)
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
muqubilone (CHEBI:66415) has role anti-HSV-1 agent (CHEBI:64953)
muqubilone (CHEBI:66415) has role metabolite (CHEBI:25212)
muqubilone (CHEBI:66415) is a dioxo monocarboxylic acid (CHEBI:35951)
muqubilone (CHEBI:66415) is a methyl ketone (CHEBI:51867)
muqubilone (CHEBI:66415) is a organic peroxide (CHEBI:25702)
muqubilone (CHEBI:66415) is a sesterterpenoid (CHEBI:26660)
muqubilone (CHEBI:66415) is a terpene ketone (CHEBI:26872)
Citations