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ChEBI
> Main
CHEBI:132641 - chasmanine
Main
ChEBI Ontology
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ChEBI Name
chasmanine
ChEBI ID
CHEBI:132641
Definition
A diterpene alkaloid with formula C
25
H
41
NO
6
that is isolated from several
Aconitum
species.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Molfile
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Formula
C25H41NO6
Net Charge
0
Average Mass
451.597
Monoisotopic Mass
451.29339
InChI
InChI=1S/C25H41NO6/c1-
6-
26-
11-
23(12-
29-
2)
8-
7-
16(31-
4)
25-
14-
9-
13-
15(30-
3)
10-
24(28,17(14)
19(13)
27)
18(22(25)
26)
20(32-
5)
21(23)
25/h13-
22,27-
28H,6-
12H2,1-
5H3/t13-
,14-
,15+,16+,17-
,18+,19+,20+,21-
,22?,23+,24-
,25+/m1/s1
InChIKey
DBODJJZRZFZBBD-RIVIBFSZSA-N
SMILES
[C@@]
123[C@]
4([C@@]
(CN(C1[C@]
([C@@H]
4OC)
([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
Delphinium staphisagria
(NCBI:txid104301)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Aconitum hemsleyanum
(NCBI:txid215070)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum episcopale
(NCBI:txid226106)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum kusnezoffii
(NCBI:txid239685)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum tatsinenense
(NCBI:txid286039)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum geniculatum
(NCBI:txid632155)
Found in root
(BTO:0001188)
. See:
PubMed
Aconitum kongboense
(NCBI:txid632161)
Found in root
(BTO:0001188)
. See:
PubMed
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
antifeedant
A substance that prevents pests from feeding.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
chasmanine (
CHEBI:132641
)
has parent hydride
aconitane (
CHEBI:35911
)
chasmanine (
CHEBI:132641
)
has role
antifeedant (
CHEBI:22583
)
chasmanine (
CHEBI:132641
)
has role
plant metabolite (
CHEBI:76924
)
chasmanine (
CHEBI:132641
)
is a
bridged compound (
CHEBI:35990
)
chasmanine (
CHEBI:132641
)
is a
diol (
CHEBI:23824
)
chasmanine (
CHEBI:132641
)
is a
diterpene alkaloid (
CHEBI:23847
)
chasmanine (
CHEBI:132641
)
is a
organic heteropolycyclic compound (
CHEBI:38166
)
chasmanine (
CHEBI:132641
)
is a
polyether (
CHEBI:46774
)
chasmanine (
CHEBI:132641
)
is a
secondary alcohol (
CHEBI:35681
)
chasmanine (
CHEBI:132641
)
is a
tertiary alcohol (
CHEBI:26878
)
chasmanine (
CHEBI:132641
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
20-ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,14α-diol
Synonyms
Sources
(1α,6α,14α,16β)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol
IUPAC
Toroko base II
ChemIDplus
Manual Xrefs
Databases
20055812
PubChem
C00028038
KNApSAcK
CN101037412
Patent
View more database links
Registry Numbers
Types
Sources
50490
Reaxys Registry Number
Reaxys
5066-78-4
CAS Registry Number
ChemIDplus
5066-78-4
CAS Registry Number
KNApSAcK
7945618
Reaxys Registry Number
Reaxys
9454564
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10978212
PubMed citation
Europe PMC
12736463
PubMed citation
Europe PMC
17401992
PubMed citation
Europe PMC
19894536
PubMed citation
Europe PMC
21417277
PubMed citation
Europe PMC
22530673
PubMed citation
Europe PMC
22628040
PubMed citation
Europe PMC
266313
Chinese Abstracts citation
Europe PMC
27183898
PubMed citation
Europe PMC
300080
Chinese Abstracts citation
Europe PMC
321709
Chinese Abstracts citation
Europe PMC
331924
Chinese Abstracts citation
Europe PMC
335013
Chinese Abstracts citation
Europe PMC
337598
Chinese Abstracts citation
Europe PMC
337610
Chinese Abstracts citation
Europe PMC
364496
Chinese Abstracts citation
Europe PMC
377474
Chinese Abstracts citation
Europe PMC
377646
Chinese Abstracts citation
Europe PMC
Last Modified
14 December 2016