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> Main
CHEBI:65447 - AS-186d
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ChEBI Ontology
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ChEBI Name
AS-186d
ChEBI ID
CHEBI:65447
Definition
A dibenzodioxonine isolated from the culture broth of
Penicillium asperosporum
that acts as an acyl-CoA:cholesterol acyltransferase inhibitor.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C44H50O13
Net Charge
0
Average Mass
786.86000
Monoisotopic Mass
786.32514
InChI
InChI=1S/C44H50O13/c1-
20(2)
14-
30(47)
25-
10-
12-
29(46)
36(41(25)
53-
8)
39(51)
35-
27(16-
22(5)
18-
31(35)
48)
43-
38(50)
28-
17-
23(6)
19-
32(49)
40(28)
56-
33-
13-
11-
26(34(15-
21(3)
4)
55-
24(7)
45)
42(54-
9)
37(33)
44(52)
57-
43/h10-
13,16-
21,30,34,38,43,46-
50H,14-
15H2,1-
9H3
InChIKey
XHGXNCJQYFUJOZ-UHFFFAOYSA-N
SMILES
COc1c(ccc(O)c1C(=O)c1c(O)cc(C)cc1C1OC(=O)c2c(Oc3c(O)cc(C)cc3C1O)ccc(C(CC(C)C)OC(C)=O)c2OC)C(O)CC(C)C
Metabolite of Species
Details
Penicillium asperosporum
(NCBI:txid70097)
of strain KY 1635 See:
PubMed
Roles Classification
Biological Role
(s):
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in
Penicillium
.
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of acyl-CoA:cholesterol acyltransferase (EC 2.3.1.26).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
AS-186d (
CHEBI:65447
)
has role
Penicillium
metabolite (
CHEBI:76964
)
AS-186d (
CHEBI:65447
)
has role
EC 2.3.1.26 (sterol
O
-acyltransferase) inhibitor (
CHEBI:64696
)
AS-186d (
CHEBI:65447
)
is a
acetate ester (
CHEBI:47622
)
AS-186d (
CHEBI:65447
)
is a
aromatic ether (
CHEBI:35618
)
AS-186d (
CHEBI:65447
)
is a
benzophenones (
CHEBI:22726
)
AS-186d (
CHEBI:65447
)
is a
dibenzodioxonine (
CHEBI:71155
)
AS-186d (
CHEBI:65447
)
is a
lactone (
CHEBI:25000
)
AS-186d (
CHEBI:65447
)
is a
polyphenol (
CHEBI:26195
)
AS-186d (
CHEBI:65447
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
1-
(8,12-
dihydroxy-
7-
{3-
hydroxy-
2-
[6-
hydroxy-
3-
(1-
hydroxy-
3-
methylbutyl)-
2-
methoxybenzoyl]-
5-
methylphenyl}-
4-
methoxy-
10-
methyl-
5-
oxo-
7,8-
dihydro-
5
H
-
dibenzo[
b,h
][1,5]dioxonin-
3-
yl)-
3-
methylbutyl acetate
Registry Number
Type
Source
6840077
Reaxys Registry Number
Reaxys
Citation
Type
Source
8119857
PubMed citation
Europe PMC
Last Modified
13 January 2014