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ChEBI
> Main
CHEBI:65748 - desacetylpyramidaglain D
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ChEBI Name
desacetylpyramidaglain D
ChEBI ID
CHEBI:65748
Definition
A flavagline with a cyclopenta[
bc
]benzopyran skeleton isolated from the leaves of
Aglaia forbesii
. It exhibits antitubercular and antiviral activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C38H40N2O8
Net Charge
0
Average Mass
652.73280
Monoisotopic Mass
652.27847
InChI
InChI=1S/C38H40N2O8/c1-
45-
27-
18-
16-
26(17-
19-
27)
38-
31(24-
12-
6-
4-
7-
13-
24)
33(35(42)
40-
21-
11-
10-
20-
39-
34(41)
25-
14-
8-
5-
9-
15-
25)
37(44,36(38)
43)
32-
29(47-
3)
22-
28(46-
2)
23-
30(32)
48-
38/h4-
9,12-
19,22-
23,31,33,36,43-
44H,10-
11,20-
21H2,1-
3H3,(H,39,41)
(H,40,42)
/t31-
,33+,36+,37-
,38-
/m0/s1
InChIKey
XFSOIGVOVJTBKR-ISCMDCNBSA-N
SMILES
[H]
[C@]
1(C(=O)
NCCCCNC(=O)
c2ccccc2)
[C@]
([H]
)
(c2ccccc2)
[C@@]
2(Oc3cc(OC)
cc(OC)
c3[C@@]
1(O)
[C@H]
2O)
c1ccc(OC)
cc1
Metabolite of Species
Details
Aglaia forbesii
(NCBI:txid306504)
Found in leaf
(BTO:0000713)
. See:
PubMed
Roles Classification
Biological Role
(s):
antitubercular agent
A substance that kills or slows the growth of
Mycobacterium tuberculosis
and is used in the treatment of tuberculosis.
antiviral agent
A substance that destroys or inhibits replication of viruses.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
flavagline
)
Application
(s):
antitubercular agent
A substance that kills or slows the growth of
Mycobacterium tuberculosis
and is used in the treatment of tuberculosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
desacetylpyramidaglain D (
CHEBI:65748
)
has role
antitubercular agent (
CHEBI:33231
)
desacetylpyramidaglain D (
CHEBI:65748
)
has role
antiviral agent (
CHEBI:22587
)
desacetylpyramidaglain D (
CHEBI:65748
)
has role
metabolite (
CHEBI:25212
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
benzamides (
CHEBI:22702
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
bridged compound (
CHEBI:35990
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
flavagline (
CHEBI:71504
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
methoxybenzenes (
CHEBI:51683
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
secondary alcohol (
CHEBI:35681
)
desacetylpyramidaglain D (
CHEBI:65748
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(2
R
,3
R
,4
S
,5
R
,10
R
)-
N
-
[4-
(benzoylamino)butyl]-
5,10-
dihydroxy-
6,8-
dimethoxy-
2-
(4-
methoxyphenyl)-
3-
phenyl-
2,3,4,5-
tetrahydro-
2,5-
methano-
1-
benzoxepine-
4-
carboxamide
Registry Number
Type
Source
15836653
Reaxys Registry Number
Reaxys
Citation
Type
Source
17707871
PubMed citation
Europe PMC
Last Modified
02 January 2013