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> Main
CHEBI:66396 - monodictyochromone A
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ChEBI Name
monodictyochromone A
ChEBI ID
CHEBI:66396
Definition
A chromanone isolated from the marine derived fungus
Monodictys putredinis
and exhibits inhibitory activity against P450.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H30O11
Net Charge
0
Average Mass
566.55260
Monoisotopic Mass
566.17881
InChI
InChI=1S/C30H30O11/c1-
12-
7-
15(31)
23-
17(33)
10-
30(4,28-
16(32)
9-
21(36)
39-
28)
41-
26(23)
22(12)
14-
5-
6-
19-
24(25(14)
37)
18(34)
11-
29(3,40-
19)
27-
13(2)
8-
20(35)
38-
27/h5-
7,13,16,27-
28,31-
32,37H,8-
11H2,1-
4H3/t13-
,16+,27+,28+,29+,30-
/m0/s1
InChIKey
PWCVOPRZVQEZQR-QICUOKTJSA-N
SMILES
[H]
[C@]
1(OC(=O)
C[C@@H]
1C)
[C@@]
1(C)
CC(=O)
c2c(O1)
ccc(c2O)
-
c1c(C)
cc(O)
c2C(=O)
C[C@]
(C)
(Oc12)
[C@]
1([H]
)
OC(=O)
C[C@H]
1O
Metabolite of Species
Details
Monodictys putredinis
(WORMS:100530)
See:
PubMed
Roles Classification
Biological Role
(s):
P450 inhibitor
An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
monodictyochromone A (
CHEBI:66396
)
has role
antineoplastic agent (
CHEBI:35610
)
monodictyochromone A (
CHEBI:66396
)
has role
metabolite (
CHEBI:25212
)
monodictyochromone A (
CHEBI:66396
)
has role
P450 inhibitor (
CHEBI:50183
)
monodictyochromone A (
CHEBI:66396
)
is a
γ-lactone (
CHEBI:37581
)
monodictyochromone A (
CHEBI:66396
)
is a
chromanone (
CHEBI:38763
)
monodictyochromone A (
CHEBI:66396
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(2
R
,2'
S
)-
5,5'-
dihydroxy-
2'-
[(2
R
,3
R
)-
3-
hydroxy-
5-
oxotetrahydrofuran-
2-
yl]-
2,2',7'-
trimethyl-
2-
[(2
R
,3
S
)-
3-
methyl-
5-
oxotetrahydrofuran-
2-
yl]-
2,2',3,3'-
tetrahydro-
4
H
,4'
H
-
6,8'-
bichromene-
4,4'-
dione
Citation
Type
Source
18939864
PubMed citation
Europe PMC
Last Modified
21 August 2013