Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:70493 - (-)-Alstolucine B, (rel)-
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(-)-Alstolucine B, (rel)-
ChEBI ID
CHEBI:70493
Definition
A natural product found in
Alstonia spatulata
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C20H22N2O3
Net Charge
0
Average Mass
338.40030
Monoisotopic Mass
338.16304
InChI
InChI=1S/C20H22N2O3/c1-
11(23)
13-
10-
22-
8-
7-
20-
14-
5-
3-
4-
6-
15(14)
21-
18(20)
17(19(24)
25-
2)
12(13)
9-
16(20)
22/h3-
6,12-
13,16,21H,7-
10H2,1-
2H3/t12-
,13-
,16-
,20+/m0/s1
InChIKey
DHAOEWPYRANXCZ-SFZJTNDWSA-N
SMILES
[H][C@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])C(C)=O
Metabolite of Species
Details
Alstonia
sp.
tulata
(IPNI:76595-1)
Found in leaf
(BTO:0000713)
. Extraction of leaves with concentrated EtOH with dilute acids See:
PubMed
Roles Classification
Biological Role
(s):
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
(-)-Alstolucine B, (rel)- (
CHEBI:70493
)
has role
metabolite (
CHEBI:25212
)
(-)-Alstolucine B, (rel)- (
CHEBI:70493
)
is a
alkaloid (
CHEBI:22315
)
(-)-Alstolucine B, (rel)- (
CHEBI:70493
)
is a
methyl ester (
CHEBI:25248
)
(-)-Alstolucine B, (rel)- (
CHEBI:70493
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
Citation
Type
Source
21043460
PubMed citation
Europe PMC
Last Modified
16 March 2015
General Comment
2014-10-17
Suggested Classification: ISA:carbazoles(CHEBI:48513); ISA:indoles(CHEBI:24828); ISA:indolizines(CHEBI:38485); ISA:aralkylamine(CHEBI:18000); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:ketone(CHEBI:17087); ISA:organic amino compound(CHEBI:50047); ISA:piperidines(CHEBI:26151); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:enamine(CHEBI:47989); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);