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CHEBI:82622 - leucascandrolide A congener

ChEBI IDCHEBI:82622
ChEBI Nameleucascandrolide A congener
Stars
DefinitionA synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties.
Last Modified6 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC36H54N2O10
Net Charge0
Average Mass674.832
Monoisotopic Mass674.37785
SMILES[H][C@]12CCC[C@@]([H])(C[C@H](CCCCC)OC(=O)C[C@@]3([H])C[C@H](OC(=O)/C=C\CCc4coc(/C=C\CNC(=O)OC)n4)C[C@@]([H])(C[C@H](OC)C1)O3)O2
InChIInChI=1S/C36H54N2O10/c1-4-5-6-12-28-18-26-13-9-14-27(45-26)19-29(42-2)20-30-21-31(22-32(46-30)23-35(40)47-28)48-34(39)16-8-7-11-25-24-44-33(38-25)15-10-17-37-36(41)43-3/h8,10,15-16,24,26-32H,4-7,9,11-14,17-23H2,1-3H3,(H,37,41)/b15-10-,16-8-/t26-,27-,28-,29+,30+,31+,32+/m0/s1
InChIKeyOHDYRIXQCGVPSA-HTNAZZBXSA-N
Roles Classification
Biological Role:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
leucascandrolide A congener (CHEBI:82622) has role antifungal agent (CHEBI:35718)
leucascandrolide A congener (CHEBI:82622) is a 1,3-oxazoles (CHEBI:46812)
leucascandrolide A congener (CHEBI:82622) is a carbamate ester (CHEBI:23003)
leucascandrolide A congener (CHEBI:82622) is a enoate ester (CHEBI:51702)
leucascandrolide A congener (CHEBI:82622) is a macrolide (CHEBI:25106)
leucascandrolide A congener (CHEBI:82622) is a organic heterotricyclic compound (CHEBI:26979)
leucascandrolide A congener (CHEBI:82622) is a polycyclic ether (CHEBI:36468)
leucascandrolide A congener (CHEBI:82622) is a semisynthetic derivative (CHEBI:72588)
IUPAC Name 
(1S,3R,5R,7R,9R,13S,15S)-3-methoxy-11-oxo-13-pentyl-12,19,20-trioxatricyclo[13.3.1.15,9]icos-7-yl (2Z)-5-(2-{(1Z)-3-[(methoxycarbonyl)amino]prop-1-en-1-yl}-1,3-oxazol-4-yl)pent-2-enoate
Citations