Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:66112 - jaspamide K
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
jaspamide K
ChEBI ID
CHEBI:66112
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C36H45BrN4O7
Net Charge
0
Average Mass
725.66900
Monoisotopic Mass
724.24716
InChI
InChI=1S/C36H45BrN4O7/c1-
19-
15-
20(2)
32(44)
22(4)
34(45)
38-
23(5)
36(47)
41(6)
30(17-
27-
26-
9-
7-
8-
10-
28(26)
39-
33(27)
37)
35(46)
40-
29(18-
31(43)
48-
21(3)
16-
19)
24-
11-
13-
25(42)
14-
12-
24/h7-
15,19,21-
23,29-
30,32,39,42,44H,16-
18H2,1-
6H3,(H,38,45)
(H,40,46)
/b20-
15+/t19-
,21-
,22-
,23-
,29+,30+,32?/m0/s1
InChIKey
KKIASCJKLSEAED-NDBXTNKWSA-N
SMILES
C[C@H]
1C[C@@H]
(C)
\C=C(C)
\C(O)
[C@H]
(C)
C(=O)
N[C@@H]
(C)
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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
actin polymerisation inhibitor
Any substance that inhibits the polymerisation of the protein actin.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
jaspamide K (
CHEBI:66112
)
has role
actin polymerisation inhibitor (
CHEBI:70728
)
jaspamide K (
CHEBI:66112
)
has role
antineoplastic agent (
CHEBI:35610
)
jaspamide K (
CHEBI:66112
)
has role
metabolite (
CHEBI:25212
)
jaspamide K (
CHEBI:66112
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jaspamide K (
CHEBI:66112
)
is a
macrocycle (
CHEBI:51026
)
jaspamide K (
CHEBI:66112
)
is a
organobromine compound (
CHEBI:37141
)
jaspamide K (
CHEBI:66112
)
is a
secondary alcohol (
CHEBI:35681
)
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]-
14-
hydroxy-
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
18557798
Reaxys Registry Number
Reaxys
Last Modified
06 March 2013
General Comment
2013-03-06
Tetrahedron
(2008),64, 7127-7130.