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ChEBI
> Main
CHEBI:2538 - alangiside
Main
ChEBI Ontology
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ChEBI Name
alangiside
ChEBI ID
CHEBI:2538
Definition
An organic heterotetracyclic compound that is an alkaloidal glycoside isolated from
Alangium salviifolium
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H31NO10
Net Charge
0
Average Mass
505.51438
Monoisotopic Mass
505.19480
InChI
InChI=1S/C25H31NO10/c1-
3-
12-
14-
7-
16-
13-
8-
17(28)
18(33-
2)
6-
11(13)
4-
5-
26(16)
23(32)
15(14)
10-
34-
24(12)
36-
25-
22(31)
21(30)
20(29)
19(9-
27)
35-
25/h3,6,8,10,12,14,16,19-
22,24-
25,27-
31H,1,4-
5,7,9H2,2H3/t12?,14-
,16-
,19-
,20-
,21+,22-
,24+,25+/m1/s1
InChIKey
BCYNGTTVQNJTCV-KFWOGKQRSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
N(CCc4cc(OC)
c(O)
cc34)
C(=O)
C1=CO[C@@H]
(O[C@@H]
1O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
C2C=C
Metabolite of Species
Details
Alangium javanicum
(NCBI:txid1504380)
See:
PubMed
Alangium grisolleoides
(NCBI:txid616979)
See:
PubMed
Alangium salviifolium
(NCBI:txid616984)
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
alangiside (
CHEBI:2538
)
has role
plant metabolite (
CHEBI:76924
)
alangiside (
CHEBI:2538
)
is a
β-
D
-glucoside (
CHEBI:22798
)
alangiside (
CHEBI:2538
)
is a
aromatic ether (
CHEBI:35618
)
alangiside (
CHEBI:2538
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
alangiside (
CHEBI:2538
)
is a
isoquinolines (
CHEBI:24922
)
alangiside (
CHEBI:2538
)
is a
olefinic compound (
CHEBI:78840
)
alangiside (
CHEBI:2538
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
alangiside (
CHEBI:2538
)
is a
phenols (
CHEBI:33853
)
alangiside (
CHEBI:2538
)
is a
terpene glycoside (
CHEBI:61777
)
IUPAC Name
(11
S
,12a
R
,13a
R
)-
12-
ethenyl-
11-
(β-
D
-
glucopyranosyloxy)-
2-
hydroxy-
3-
methoxy-
5,6,12,12a,13,13a-
hexahydro-
11
H
-
pyrano[4',3':4,5]pyrido[2,1-
a
]isoquinolin-
8-
one
Synonym
Source
Alangiside
KEGG COMPOUND
Manual Xrefs
Databases
C00001798
KNApSAcK
C09330
KEGG COMPOUND
View more database links
Registry Number
Type
Source
34482-51-4
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
1171883
PubMed citation
Europe PMC
16124751
PubMed citation
Europe PMC
Last Modified
04 February 2015