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> Main
CHEBI:132667 - pseudobrucine
Main
ChEBI Ontology
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ChEBI Name
pseudobrucine
ChEBI ID
CHEBI:132667
Definition
A monoterpenoid indole alkaloid that is brucine in which the hydrogen at position 16 has been replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C23H26N2O5
Net Charge
0
Average Mass
410.464
Monoisotopic Mass
410.18417
InChI
InChI=1S/C23H26N2O5/c1-
28-
16-
7-
14-
15(8-
17(16)
29-
2)
25-
19(26)
9-
18-
20-
13-
10-
23(27)
22(14,21(20)
25)
4-
5-
24(23)
11-
12(13)
3-
6-
30-
18/h3,7-
8,13,18,20-
21,27H,4-
6,9-
11H2,1-
2H3/t13-
,18-
,20-
,21-
,22-
,23+/m0/s1
InChIKey
JNNROFOMHXIAMQ-UDSSAEOASA-N
SMILES
C1[C@@]
2(N3CC[C@@]
42[C@]
5(N(C=6C4=CC(=C(C6)
OC)
OC)
C(C[C@]
7([C@@]
5([C@@]
1(C(=CCO7)
C3)
[H]
)
[H]
)
[H]
)
=O)
[H]
)
O
Metabolite of Species
Details
Strychnos nux-vomica
(NCBI:txid28545)
Found in seed
(BTO:0001226)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
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 xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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
pseudobrucine (
CHEBI:132667
)
has functional parent
brucine (
CHEBI:3193
)
pseudobrucine (
CHEBI:132667
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
pseudobrucine (
CHEBI:132667
)
has role
plant metabolite (
CHEBI:76924
)
pseudobrucine (
CHEBI:132667
)
is a
δ-lactam (
CHEBI:77727
)
pseudobrucine (
CHEBI:132667
)
is a
aromatic ether (
CHEBI:35618
)
pseudobrucine (
CHEBI:132667
)
is a
hemiaminal (
CHEBI:73080
)
pseudobrucine (
CHEBI:132667
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
pseudobrucine (
CHEBI:132667
)
is a
organic heteroheptacyclic compound (
CHEBI:52157
)
IUPAC Name
16-hydroxy-2,3-dimethoxystrychnidin-10-one
Synonym
Source
16-Hydroxybrucine
KNApSAcK
Manual Xrefs
Databases
3083630
PubChem
C00025199
KNApSAcK
View more database links
Registry Numbers
Types
Sources
1053907
Reaxys Registry Number
Reaxys
560-30-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25594733
PubMed citation
Europe PMC
8103941
PubMed citation
Europe PMC
Last Modified
10 January 2017