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ChEBI
> Main
CHEBI:132644 - hypaconine
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ChEBI Ontology
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ChEBI Name
hypaconine
ChEBI ID
CHEBI:132644
Definition
A diterpene alkaloid with formula C
24
H
39
NO
8
, originally isolated from
Aconitum carmichaeli
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C24H39NO8
Net Charge
0
Average Mass
469.569
Monoisotopic Mass
469.26757
InChI
InChI=1S/C24H39NO8/c1-
25-
9-
21(10-
30-
2)
7-
6-
12(31-
3)
23-
11-
8-
22(28)
18(26)
13(11)
24(29,19(27)
20(22)
33-
5)
14(17(23)
25)
15(32-
4)
16(21)
23/h11-
20,26-
29H,6-
10H2,1-
5H3/t11-
,12+,13-
,14+,15+,16-
,17?,18-
,19+,20+,21+,22-
,23+,24-
/m1/s1
InChIKey
BQTYHFZQSAKNQU-WIGGLDDKSA-N
SMILES
[C@@]
123[C@]
4([C@@]
(CN(C1[C@]
([C@@H]
4OC)
([C@@]
5([C@@]
6([C@]
2(C[C@@]
([C@@H]
(OC)
[C@@H]
5O)
(O)
[C@@H]
6O)
[H]
)
[H]
)
O)
[H]
)
C)
(COC)
CC[C@@H]
3OC)
[H]
Metabolite of Species
Details
Aconitum carmichaelii
(NCBI:txid85363)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hypaconine (
CHEBI:132644
)
has parent hydride
aconitane (
CHEBI:35911
)
hypaconine (
CHEBI:132644
)
has role
human urinary metabolite (
CHEBI:84087
)
hypaconine (
CHEBI:132644
)
has role
plant metabolite (
CHEBI:76924
)
hypaconine (
CHEBI:132644
)
has role
xenobiotic (
CHEBI:35703
)
hypaconine (
CHEBI:132644
)
is a
bridged compound (
CHEBI:35990
)
hypaconine (
CHEBI:132644
)
is a
diterpene alkaloid (
CHEBI:23847
)
hypaconine (
CHEBI:132644
)
is a
organic heteropolycyclic compound (
CHEBI:38166
)
hypaconine (
CHEBI:132644
)
is a
polyether (
CHEBI:46774
)
hypaconine (
CHEBI:132644
)
is a
secondary alcohol (
CHEBI:35681
)
hypaconine (
CHEBI:132644
)
is a
tertiary alcohol (
CHEBI:26878
)
hypaconine (
CHEBI:132644
)
is a
tertiary amino compound (
CHEBI:50996
)
hypaconine (
CHEBI:132644
)
is a
tetrol (
CHEBI:33573
)
IUPAC Name
1α,6α,16β-
trimethoxy-
4-
(methoxymethyl)-
20-
methylaconitane-
8,13,14α,15α-
tetrol
Synonym
Source
(1α,6α,14α,15α,16β)-
1,6,16-
trimethoxy-
4-
(methoxymethyl)-
20-
methylaconitane-
8,13,14,15-
tetrol
IUPAC
Registry Number
Type
Source
56982
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22223386
PubMed citation
Europe PMC
22342149
PubMed citation
Europe PMC
22816290
PubMed citation
Europe PMC
24768806
PubMed citation
Europe PMC
25744397
PubMed citation
Europe PMC
25898581
PubMed citation
Europe PMC
26390658
PubMed citation
Europe PMC
Last Modified
14 December 2016