EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66338 - UCS1025 A

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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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.
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
WO0129043Patent
EP1227097Patent
US6869971Patent
Citations