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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5952 - ipecoside
Main
ChEBI Ontology
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ChEBI Name
ipecoside
ChEBI ID
CHEBI:5952
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
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more structures >>
Molfile
Formula
C27H35NO12
Net Charge
0
Average Mass
565.572
Monoisotopic Mass
565.21593
InChI
InChI=1S/C27H35NO12/c1-
4-
14-
16(8-
18-
15-
9-
20(32)
19(31)
7-
13(15)
5-
6-
28(18)
12(2)
30)
17(25(36)
37-
3)
11-
38-
26(14)
40-
27-
24(35)
23(34)
22(33)
21(10-
29)
39-
27/h4,7,9,11,14,16,18,21-
24,26-
27,29,31-
35H,1,5-
6,8,10H2,2-
3H3/t14-
,16+,18-
,21-
,22-
,23+,24-
,26+,27+/m1/s1
InChIKey
QISXROCIXKXUPS-OWVLCBNUSA-N
SMILES
[H]
[C@]
1(C[C@]
2([H]
)
C(=CO[C@@H]
(O[C@@H]
3O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
[C@]
2([H]
)
C=C)
C(=O)
OC)
N(CCC2=C1C=C(O)
C(O)
=C2)
C(C)
=O
Metabolite of Species
Details
Carapichea ipecacuanha
(NCBI:txid77880)
See:
PubMed
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
ipecoside (
CHEBI:5952
)
has functional parent
ipecoside aglycone (
CHEBI:195262
)
ipecoside (
CHEBI:5952
)
has role
plant metabolite (
CHEBI:76924
)
ipecoside (
CHEBI:5952
)
is a
β-
D
-glucoside (
CHEBI:22798
)
ipecoside (
CHEBI:5952
)
is a
acetamides (
CHEBI:22160
)
ipecoside (
CHEBI:5952
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
ipecoside (
CHEBI:5952
)
is a
isoquinolinol (
CHEBI:24923
)
ipecoside (
CHEBI:5952
)
is a
methyl ester (
CHEBI:25248
)
ipecoside (
CHEBI:5952
)
is a
olefinic compound (
CHEBI:78840
)
ipecoside (
CHEBI:5952
)
is a
terpene glycoside (
CHEBI:61777
)
IUPAC Name
methyl (2
S
,3
R
,4
S
)-
4-
{[(1
R
)-
2-
acetyl-
6,7-
dihydroxy-
1,2,3,4-
tetrahydroisoquinolin-
1-
yl]methyl}-
3-
ethenyl-
2-
(β-
D
-
glucopyranosyloxy)-
3,4-
dihydro-
2
H
-
pyran-
5-
carboxylate
Synonyms
Sources
ipecoside
UniProt
methyl (2
S
,3
R
,4
S
)-
4-
[[(1
R
)-
2-
acetyl-
1,2,3,4-
tetrahydro-
6,7-
dihydroxy-
1-
isoquinolinyl]methyl]-
3-
ethenyl-
2-
(β-
D
-
glucopyranosyloxy)-
3,4-
dihydro-
2
H
-
pyran-
5-
carboxylate
ChEBI
Manual Xrefs
Databases
C00001868
KNApSAcK
C09464
KEGG COMPOUND
CPD-26388
MetaCyc
View more database links
Registry Number
Type
Source
15401-60-2
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
13229070
PubMed citation
Europe PMC
18927081
PubMed citation
Europe PMC
20495341
PubMed citation
Europe PMC
28403242
PubMed citation
Europe PMC
35781851
PubMed citation
Europe PMC
38022701
PubMed citation
Europe PMC
Last Modified
08 February 2024