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> Main
CHEBI:75881 - cuevaene A
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ChEBI Name
cuevaene A
ChEBI ID
CHEBI:75881
Definition
A monocarboxylic acid that is (2
E
,4
Z
,6
E
)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H22O5
Net Charge
0
Average Mass
354.39640
Monoisotopic Mass
354.14672
InChI
InChI=1S/C21H22O5/c1-
13(11-
16(25-
2)
7-
9-
20(23)
24)
10-
14-
4-
3-
5-
19-
21(14)
17-
12-
15(22)
6-
8-
18(17)
26-
19/h6-
12,14,22H,3-
5H2,1-
2H3,(H,23,24)
/b9-
7+,13-
10+,16-
11-
InChIKey
LWPQRRAIIWETLD-LUGDWHTQSA-N
SMILES
COC(\C=C\C(O)=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cuevaene A (
CHEBI:75881
)
has role
metabolite (
CHEBI:25212
)
cuevaene A (
CHEBI:75881
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
cuevaene A (
CHEBI:75881
)
is a
dibenzofurans (
CHEBI:38922
)
cuevaene A (
CHEBI:75881
)
is a
enol ether (
CHEBI:47985
)
cuevaene A (
CHEBI:75881
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(2
E
,4
Z
,6
E
)-
7-
(8-
hydroxy-
1,2,3,4-
tetrahydrodibenzo[
b
,
d
]furan-
1-
yl)-
4-
methoxy-
6-
methylhepta-
2,4,6-
trienoic acid
Registry Number
Type
Source
20668157
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23652605
PubMed citation
Europe PMC
23824670
PubMed citation
Europe PMC
Last Modified
27 June 2014