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CHEBI:68272 - jasplakinolide Q
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ChEBI Name
jasplakinolide Q
ChEBI ID
CHEBI:68272
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C36H46N4O6
Net Charge
0
Average Mass
630.77360
Monoisotopic Mass
630.34174
InChI
InChI=1S/C36H46N4O6/c1-
21-
15-
22(2)
17-
24(4)
46-
33(42)
19-
31(26-
11-
13-
28(41)
14-
12-
26)
39-
35(44)
32(18-
27-
20-
37-
30-
10-
8-
7-
9-
29(27)
30)
40(6)
36(45)
25(5)
38-
34(43)
23(3)
16-
21/h7-
15,20,22-
25,31-
32,37,41H,16-
19H2,1-
6H3,(H,38,43)
(H,39,44)
/b21-
15+/t22-
,23-
,24-
,25-
,31+,32+/m0/s1
InChIKey
PWHMXYJBGYEDHW-RWGHOPJMSA-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[nH]
c3ccccc23)
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):
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 Q (
CHEBI:68272
)
has role
animal metabolite (
CHEBI:75767
)
jasplakinolide Q (
CHEBI:68272
)
has role
antineoplastic agent (
CHEBI:35610
)
jasplakinolide Q (
CHEBI:68272
)
has role
marine metabolite (
CHEBI:76507
)
jasplakinolide Q (
CHEBI:68272
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jasplakinolide Q (
CHEBI:68272
)
is a
indoles (
CHEBI:24828
)
jasplakinolide Q (
CHEBI:68272
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(4
R
,7
R
,10
S
,13
S
,15
E
,17
R
,19
S
)-
4-
(4-
hydroxyphenyl)-
7-
(1
H
-
indol-
3-
ylmethyl)-
8,10,13,15,17,19-
hexamethyl-
1-
oxa-
5,8,11-
triazacyclononadec-
15-
ene-
2,6,9,12-
tetrone
Registry Number
Type
Source
19477210
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015