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ChEBI
> Main
CHEBI:66108 - jaspamide E
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ChEBI Name
jaspamide E
ChEBI ID
CHEBI:66108
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
. A derivative of jaspamide, it exhibits anti-tumour activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C36H45BrN4O7
Net Charge
0
Average Mass
725.66900
Monoisotopic Mass
724.24716
InChI
InChI=1S/C36H45BrN4O7/c1-
20-
14-
21(2)
16-
23(4)
48-
32(44)
18-
29(24-
10-
12-
25(43)
13-
11-
24)
39-
35(46)
31(17-
27-
26-
8-
6-
7-
9-
28(26)
38-
33(27)
37)
41(5)
36(47)
30(19-
42)
40-
34(45)
22(3)
15-
20/h6-
14,21-
23,29-
31,38,42-
43H,15-
19H2,1-
5H3,(H,39,46)
(H,40,45)
/b20-
14+/t21-
,22-
,23-
,29+,30-
,31+/m0/s1
InChIKey
DHQOFPFBUAFCRJ-GFUVCHAISA-N
SMILES
C[C@H]
1C[C@@H]
(C)
\C=C(C)
\C[C@H]
(C)
C(=O)
N[C@@H]
(CO)
C(=O)
N(C)
[C@H]
(Cc2c(Br)
[nH]
c3ccccc23)
C(=O)
N[C@H]
(CC(=O)
O1)
c1ccc(O)
cc1
Metabolite of Species
Details
Jaspis
sp.
endens
(WORMS:169842)
See:
DOI
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
jaspamide E (
CHEBI:66108
)
has role
animal metabolite (
CHEBI:75767
)
jaspamide E (
CHEBI:66108
)
has role
antineoplastic agent (
CHEBI:35610
)
jaspamide E (
CHEBI:66108
)
has role
marine metabolite (
CHEBI:76507
)
jaspamide E (
CHEBI:66108
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jaspamide E (
CHEBI:66108
)
is a
macrocycle (
CHEBI:51026
)
jaspamide E (
CHEBI:66108
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
(4
R
,7
R
,10
S
,13
S
,15
E
,17
R
,19
S
)-
7-
[(2-
bromo-
1
H
-
indol-
3-
yl)methyl]-
10-
(hydroxymethyl)-
4-
(4-
hydroxyphenyl)-
8,13,15,17,19-
pentamethyl-
1-
oxa-
5,8,11-
triazacyclononadec-
15-
ene-
2,6,9,12-
tetrone
Registry Number
Type
Source
11016306
Reaxys Registry Number
Reaxys
Last Modified
13 April 2015
General Comment
2013-03-04
Tetrahedron
(2007),63, 5212 - 5219.