Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:66726 - Panicutine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Panicutine
ChEBI ID
CHEBI:66726
Definition
A natural product found in
Aconitum paniculatum
and
Delphinium denudatum
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C23H29NO4
Net Charge
0
Average Mass
383.48070
Monoisotopic Mass
383.20966
InChI
InChI=1S/C23H29NO4/c1-
11-
6-
22-
9-
15(26)
19-
21(3)
7-
13(28-
12(2)
25)
8-
23(19)
16(22)
5-
14(11)
18(27)
17(22)
20(23)
24(4)
10-
21/h13-
14,16-
17,19-
20H,1,5-
10H2,2-
4H3/t13-
,14-
,16+,17+,19+,20+,21-
,22+,23+/m0/s1
InChIKey
CKNLFSFBGRRFCB-OETVPYRWSA-N
SMILES
[H]
[C@]
12C[C@]
3([H]
)
[C@@]
4(CC1=C)
CC(=O)
[C@]
1([H]
)
[C@@]
5(C)
C[C@@H]
(C[C@@]
31[C@]
([H]
)
(N(C)
C5)
[C@@]
4([H]
)
C2=O)
OC(C)
=O
Metabolite of Species
Details
Aconitum paniculatum
(IPNI:707675-1)
See:
DOI
Delphinium denudatum
(IPNI:710557-1)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Biological Role
(s):
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
Panicutine (
CHEBI:66726
)
has role
metabolite (
CHEBI:25212
)
Panicutine (
CHEBI:66726
)
is a
diterpene alkaloid (
CHEBI:23847
)
Citation
Type
Source
9170290
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:piperidines(CHEBI:26151); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);