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> Main
CHEBI:6510 - lochnericine
Main
ChEBI Ontology
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ChEBI Name
lochnericine
ChEBI ID
CHEBI:6510
Definition
An
Aspidosperma
alkaloid with molecular formula C
21
H
24
N
2
O
3
found in the roots of Madagascar periwinkle (
Catharanthus roseus
, formerly known as
Vinca rosea
).
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C21H24N2O3
Net Charge
0
Average Mass
352.434
Monoisotopic Mass
352.17869
InChI
InChI=1S/C21H24N2O3/c1-
3-
20-
10-
12(18(24)
25-
2)
16-
21(13-
6-
4-
5-
7-
14(13)
22-
16)
8-
9-
23(19(20)
21)
11-
15-
17(20)
26-
15/h4-
7,15,17,19,22H,3,8-
11H2,1-
2H3/t15-
,17-
,19-
,20+,21-
/m0/s1
InChIKey
AUVZFRDLRJQTQF-KXEYLTKFSA-N
SMILES
C=1(C[C@]2([C@@]3(N(C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC
Roles Classification
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
lochnericine (
CHEBI:6510
)
has role
plant metabolite (
CHEBI:76924
)
lochnericine (
CHEBI:6510
)
is a
Aspidosperma
alkaloid (
CHEBI:142772
)
lochnericine (
CHEBI:6510
)
is a
epoxide (
CHEBI:32955
)
lochnericine (
CHEBI:6510
)
is a
methyl ester (
CHEBI:25248
)
lochnericine (
CHEBI:6510
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
lochnericine (
CHEBI:6510
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
lochnericine (
CHEBI:6510
)
is conjugate base of
lochnericine(1+) (
CHEBI:144374
)
Incoming
lochnericine(1+) (
CHEBI:144374
)
is conjugate acid of
lochnericine (
CHEBI:6510
)
IUPAC Name
methyl 5α,6α,7α,12β,19α-
2,3-
didehydro-
6,7-
epoxyaspidospermidine-
3-
carboxylate
Synonyms
Sources
(−)-lochnericine
KNApSAcK
(5α,6α,7α,12β,19α)-
2,3-
didehydro-
6,7-
epoxyaspidospermidine-
3-
carboxylic acid methyl ester
ChemIDplus
Manual Xrefs
Databases
C00024457
KNApSAcK
C11676
KEGG COMPOUND
View more database links
Registry Number
Type
Source
72058-36-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13641069
PubMed citation
Europe PMC
21144909
PubMed citation
Europe PMC
23137274
PubMed citation
Europe PMC
24942935
PubMed citation
Europe PMC
28478314
PubMed citation
Europe PMC
29105731
PubMed citation
Europe PMC
29934299
PubMed citation
Europe PMC
Last Modified
23 October 2019