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ChEBI
> Main
CHEBI:70211 - dichotomide III
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ChEBI Ontology
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ChEBI Name
dichotomide III
ChEBI ID
CHEBI:70211
Definition
A β-carboline alkaloid isolated from
Stellaria dichotoma
var.
lanceolata
. S
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H15N3O4
Net Charge
0
Average Mass
337.32940
Monoisotopic Mass
337.10626
InChI
InChI=1S/C18H15N3O4/c1-
10(22)
16-
17-
12(11-
5-
3-
4-
6-
13(11)
20-
17)
9-
14(21-
16)
18(24)
19-
8-
7-
15(23)
25-
2/h3-
9,20H,1-
2H3,(H,19,24)
/b8-
7+
InChIKey
UJECFLWSXCNVMR-BQYQJAHWSA-N
SMILES
COC(=O)\C=C\NC(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O
Metabolite of Species
Details
Stellaria dichotoma
var.
lanceolata
(IPNI:50920984-1)
Found in root
(BTO:0001188)
. Methanolic extract of air-dried, powdered roots 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
dichotomide III (
CHEBI:70211
)
has role
plant metabolite (
CHEBI:76924
)
dichotomide III (
CHEBI:70211
)
is a
β-carboline alkaloid (
CHEBI:83325
)
dichotomide III (
CHEBI:70211
)
is a
aromatic ketone (
CHEBI:76224
)
dichotomide III (
CHEBI:70211
)
is a
methyl ester (
CHEBI:25248
)
dichotomide III (
CHEBI:70211
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
dichotomide III (
CHEBI:70211
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
IUPAC Name
methyl (2
E
)-3-{[(1-acetyl-9
H
-β-carbolin-3-yl)carbonyl]amino}prop-2-enoate
Synonym
Source
methyl(
E
)-3-[(1-acetyl-9
H
-pyrido[3,4-
b
]indole-3-carbonyl)amino]prop-2-enoate
ChEBI
Registry Number
Type
Source
21155694
Reaxys Registry Number
Reaxys
Citation
Type
Source
21090796
PubMed citation
Europe PMC
Last Modified
11 March 2015