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CHEBI:68271 - jasplakinolide D
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ChEBI Ontology
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ChEBI Name
jasplakinolide D
ChEBI ID
CHEBI:68271
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C37H47BrN4O6
Net Charge
0
Average Mass
723.69600
Monoisotopic Mass
722.26790
InChI
InChI=1S/C37H47BrN4O6/c1-
7-
29-
37(47)
42(6)
32(19-
28-
27-
10-
8-
9-
11-
30(27)
39-
34(28)
38)
36(46)
41-
31(25-
12-
14-
26(43)
15-
13-
25)
20-
33(44)
48-
24(5)
18-
22(3)
16-
21(2)
17-
23(4)
35(45)
40-
29/h8-
16,22-
24,29,31-
32,39,43H,7,17-
20H2,1-
6H3,(H,40,45)
(H,41,46)
/b21-
16+/t22-
,23-
,24-
,29-
,31+,32+/m0/s1
InChIKey
WZBSTYSFQCNXMX-RDHKBRSVSA-N
SMILES
CC[C@@H]
1NC(=O)
[C@@H]
(C)
C\C(C)
=C\[C@H]
(C)
C[C@H]
(C)
OC(=O)
C[C@@H]
(NC(=O)
[C@@H]
(Cc2c(Br)
[nH]
c3ccccc23)
N(C)
C1=O)
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):
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
jasplakinolide D (
CHEBI:68271
)
has role
animal metabolite (
CHEBI:75767
)
jasplakinolide D (
CHEBI:68271
)
has role
antineoplastic agent (
CHEBI:35610
)
jasplakinolide D (
CHEBI:68271
)
has role
marine metabolite (
CHEBI:76507
)
jasplakinolide D (
CHEBI:68271
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jasplakinolide D (
CHEBI:68271
)
is a
indoles (
CHEBI:24828
)
jasplakinolide D (
CHEBI:68271
)
is a
organobromine compound (
CHEBI:37141
)
jasplakinolide D (
CHEBI:68271
)
is a
phenols (
CHEBI:33853
)
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-
ethyl-
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
21404709
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015