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CHEBI:66338 - UCS1025 A

Default Structure
ChEBI IDCHEBI:66338
ChEBI NameUCS1025 A
Stars
DefinitionAn organic heterotricyclic compound that incorporates a lactam and a γ-lactone as part of the cyclic system which in turn is attached to a (2,4a,8a-trimethyl-octahydronaphthalen-1-yl)carbonyl group at position 7. It is isolated from Acremonium sp. KY4917 and exhibits antibacterial activity.
Last Modified7 September 2017
DownloadsMolfile
FormulaC22H29NO5
Net Charge0
Average Mass387.476
Monoisotopic Mass387.20457
SMILES[H][C@@]1(C(=O)[C@H]2[C@@H](C)C=C[C@@]3(C)CCCC[C@]23C)C(=O)N2CC[C@@]3([H])C(=O)O[C@]1([H])[C@@]23O
InChIInChI=1S/C22H29NO5/c1-12-6-10-20(2)8-4-5-9-21(20,3)15(12)16(24)14-17-22(27)13(19(26)28-17)7-11-23(22)18(14)25/h6,10,12-15,17,27H,4-5,7-9,11H2,1-3H3/t12-,13-,14-,15+,17-,20+,21+,22+/m0/s1
InChIKeyWOAILDKFDXKSIY-OMKDVXPQSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:5045) - PubMed (10819301) Strain: KY4917
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
UCS1025 A (CHEBI:66338) has role antibacterial agent (CHEBI:33282)
UCS1025 A (CHEBI:66338) has role antimicrobial agent (CHEBI:33281)
UCS1025 A (CHEBI:66338) has role antineoplastic agent (CHEBI:35610)
UCS1025 A (CHEBI:66338) has role metabolite (CHEBI:25212)
UCS1025 A (CHEBI:66338) is a ketone (CHEBI:17087)
UCS1025 A (CHEBI:66338) is a lactam (CHEBI:24995)
UCS1025 A (CHEBI:66338) is a octahydronaphthalenes (CHEBI:138397)
UCS1025 A (CHEBI:66338) is a organic heterotricyclic compound (CHEBI:26979)
UCS1025 A (CHEBI:66338) is a tertiary alcohol (CHEBI:26878)
UCS1025 A (CHEBI:66338) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(2aR,7R,7aS,7bR)-7b-hydroxy-7-{[(1S,2S,4aR,8aR)-2,4a,8a-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl}hexahydrofuro[2,3,4-gh]pyrrolizine-2,6-dione
Manual XrefsDatabases
EP1227097Patent
US6869971Patent
WO0129043Patent
Citations