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> Main
CHEBI:68273 - jasplakinolide R1
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ChEBI Name
jasplakinolide R1
ChEBI ID
CHEBI:68273
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C36H44Br2N4O6
Net Charge
0
Average Mass
788.56600
Monoisotopic Mass
786.16276
InChI
InChI=1S/C36H44Br2N4O6/c1-
19-
13-
20(2)
15-
22(4)
48-
32(44)
18-
29(24-
7-
10-
26(43)
11-
8-
24)
41-
35(46)
31(42(6)
36(47)
23(5)
39-
34(45)
21(3)
14-
19)
17-
28-
27-
12-
9-
25(37)
16-
30(27)
40-
33(28)
38/h7-
13,16,20-
23,29,31,40,43H,14-
15,17-
18H2,1-
6H3,(H,39,45)
(H,41,46)
/b19-
13+/t20-
,21-
,22-
,23-
,29+,31+/m0/s1
InChIKey
DECYMRKFVIEIJT-DCKISPQZSA-N
SMILES
C[C@H]
1C[C@@H]
(C)
\C=C(C)
\C[C@H]
(C)
C(=O)
N[C@@H]
(C)
C(=O)
N(C)
[C@H]
(Cc2c(Br)
[nH]
c3cc(Br)
ccc23)
C(=O)
N[C@H]
(CC(=O)
O1)
c1ccc(O)
cc1
Metabolite of Species
Details
Jaspis
sp.
endens
(WORMS:169842)
Methanolic extract of sponge See:
PubMed
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):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
jasplakinolide R1 (
CHEBI:68273
)
has role
animal metabolite (
CHEBI:75767
)
jasplakinolide R1 (
CHEBI:68273
)
has role
antineoplastic agent (
CHEBI:35610
)
jasplakinolide R1 (
CHEBI:68273
)
has role
marine metabolite (
CHEBI:76507
)
jasplakinolide R1 (
CHEBI:68273
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jasplakinolide R1 (
CHEBI:68273
)
is a
indoles (
CHEBI:24828
)
jasplakinolide R1 (
CHEBI:68273
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
(4
R
,7
R
,10
S
,13
S
,15
E
,17
R
,19
S
)-
7-
[(2,6-
dibromo-
1
H
-
indol-
3-
yl)methyl]-
4-
(4-
hydroxyphenyl)-
8,10,13,15,17,19-
hexamethyl-
1-
oxa-
5,8,11-
triazacyclononadec-
15-
ene-
2,6,9,12-
tetrone
Registry Number
Type
Source
21404711
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015