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> Main
CHEBI:66748 - phomacin C
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ChEBI Ontology
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ChEBI Name
phomacin C
ChEBI ID
CHEBI:66748
Definition
A cytochalasin isolated from a fungus
Phoma
sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H37NO4
Net Charge
0
Average Mass
415.56560
Monoisotopic Mass
415.27226
InChI
InChI=1S/C25H37NO4/c1-
14(2)
8-
21-
23-
17(5)
16(4)
11-
19-
10-
15(3)
9-
18(13-
27)
12-
20(28)
6-
7-
22(29)
25(19,23)
24(30)
26-
21/h6-
7,10-
11,14,17-
21,23,27-
28H,8-
9,12-
13H2,1-
5H3,(H,26,30)
/b7-
6+,15-
10+/t17-
,18+,19+,20-
,21+,23+,25-
/m1/s1
InChIKey
AQAFUDMWTUOKSI-USVVNQICSA-N
SMILES
[H]
[C@]
12C=C(C)
[C@@H]
(C)
[C@@]
3([H]
)
[C@H]
(CC(C)
C)
NC(=O)
[C@@]
13C(=O)
\C=C\[C@@H]
(O)
C[C@@H]
(CO)
C\C(C)
=C\2
Metabolite of Species
Details
Phoma
(NCBI:txid37463)
See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
phomacin C (
CHEBI:66748
)
has role
antimicrobial agent (
CHEBI:33281
)
phomacin C (
CHEBI:66748
)
has role
antineoplastic agent (
CHEBI:35610
)
phomacin C (
CHEBI:66748
)
has role
metabolite (
CHEBI:25212
)
phomacin C (
CHEBI:66748
)
is a
cytochalasin (
CHEBI:23528
)
phomacin C (
CHEBI:66748
)
is a
macrocycle (
CHEBI:51026
)
phomacin C (
CHEBI:66748
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
IUPAC Name
(3
S
,3a
R
,4
S
,6a
S
,7
E
,10
S
,12
S
,13
E
,15a
S
)-
12-
hydroxy-
10-
(hydroxymethyl)-
4,5,8-
trimethyl-
3-
(2-
methylpropyl)-
3,3a,4,6a,9,10,11,12-
octahydro-
1
H
-
cycloundeca[
d
]isoindole-
1,15(2
H
)-
dione
Citation
Type
Source
11671521
PubMed citation
Europe PMC
Last Modified
22 October 2012