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:132642 - foresticine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
foresticine
ChEBI ID
CHEBI:132642
Definition
A diterpene alkaloid with formula C
24
H
39
NO
6
, originally isolated from
Aconitum forrestii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
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
C24H39NO6
Net Charge
0
Average Mass
437.570
Monoisotopic Mass
437.27774
InChI
InChI=1S/C24H39NO6/c1-
5-
25-
10-
22(11-
29-
2)
7-
6-
15(31-
4)
24-
13-
8-
12-
14(30-
3)
9-
23(28,16(13)
18(12)
26)
17(21(24)
25)
19(27)
20(22)
24/h12-
21,26-
28H,5-
11H2,1-
4H3/t12-
,13-
,14+,15+,16-
,17+,18+,19+,20-
,21?,22+,23-
,24+/m1/s1
InChIKey
AUFPYCWNRDFSAE-QVUBZLTISA-N
SMILES
[C@@]
123[C@]
4([C@@]
(CN(C1[C@]
([C@@H]
4O)
([C@@]
5([C@@]
6([C@]
2(C[C@@]
([C@@H]
(OC)
C5)
([H]
)
[C@@H]
6O)
[H]
)
[H]
)
O)
[H]
)
CC)
(COC)
CC[C@@H]
3OC)
[H]
Metabolite of Species
Details
Aconitum forrestii
(NCBI:txid219065)
Found in root
(BTO:0001188)
. See:
DOI
Aconitum kusnezoffii
(NCBI:txid239685)
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.
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
foresticine (
CHEBI:132642
)
has parent hydride
aconitane (
CHEBI:35911
)
foresticine (
CHEBI:132642
)
has role
plant metabolite (
CHEBI:76924
)
foresticine (
CHEBI:132642
)
is a
bridged compound (
CHEBI:35990
)
foresticine (
CHEBI:132642
)
is a
diterpene alkaloid (
CHEBI:23847
)
foresticine (
CHEBI:132642
)
is a
organic heteropolycyclic compound (
CHEBI:38166
)
foresticine (
CHEBI:132642
)
is a
polyether (
CHEBI:46774
)
foresticine (
CHEBI:132642
)
is a
secondary alcohol (
CHEBI:35681
)
foresticine (
CHEBI:132642
)
is a
tertiary alcohol (
CHEBI:26878
)
foresticine (
CHEBI:132642
)
is a
tertiary amino compound (
CHEBI:50996
)
foresticine (
CHEBI:132642
)
is a
triol (
CHEBI:27136
)
IUPAC Name
20-ethyl-1α,16β-dimethoxy-4-(methoxymethyl)aconitane-6α,8,14α-triol
Synonyms
Sources
(1α,6α,14α,16β)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,14-triol
IUPAC
Longtouconitine B
ChemIDplus
Manual Xref
Database
C00028277
KNApSAcK
View more database links
Registry Numbers
Types
Sources
6875652
Reaxys Registry Number
Reaxys
7829517
Reaxys Registry Number
Reaxys
91794-15-9
CAS Registry Number
ChemIDplus
91794-15-9
CAS Registry Number
KNApSAcK
Citation
Type
Source
300080
Chinese Abstracts citation
Europe PMC
Last Modified
14 December 2016