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> Main
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.
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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
(1
S
,3
R
,5
R
,7
R
,9
R
,13
S
,15
S
)-
3-
methoxy-
11-
oxo-
13-
pentyl-
12,19,20-
trioxatricyclo[13.3.1.1
5,9
]icos-
7-
yl (2
Z
)-
5-
(2-
{(1
Z
)-
3-
[(methoxycarbonyl)amino]prop-
1-
en-
1-
yl}-
1,3-
oxazol-
4-
yl)pent-
2-
enoate
Citation
Type
Source
18516048
PubMed citation
Europe PMC
Last Modified
06 August 2014