CHEBI:82622 - leucascandrolide A congener

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ChEBI Name leucascandrolide A congener
ChEBI ID CHEBI:82622
Definition A synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H54N2O10
Net Charge 0
Average Mass 674.82140
Monoisotopic Mass 674.37785
InChI InChI=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
InChIKey OHDYRIXQCGVPSA-HTNAZZBXSA-N
SMILES CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@H](C[C@@H]3C[C@H](C[C@H](CC(=O)O1)O3)OC(=O)\C=C/CCc1coc(\C=C/CNC(=O)OC)n1)OC)O2
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
18516048 PubMed citation Europe PMC
Last Modified
06 August 2014