CHEBI:28463 - aspidospermine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aspidospermine
ChEBI ID CHEBI:28463
Definition An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2889, CHEBI:22665
Supplier Information
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Formula C22H30N2O2
Net Charge 0
Average Mass 354.48580
Monoisotopic Mass 354.23073
InChI InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1
InChIKey ARQOGCYMPUOVHK-ZHHKINOHSA-N
SMILES [H][C@@]12CC[C@@]3(CC)CCCN4CC[C@]1(c1cccc(OC)c1N2C(C)=O)[C@@]34[H]
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 aspidospermine (CHEBI:28463) has parent hydride aspidospermidine (CHEBI:38486)
aspidospermine (CHEBI:28463) is a indole alkaloid (CHEBI:38958)
IUPAC Name
1-(17-methoxyaspidospermidin-1-yl)ethanone
Synonyms Sources
(-)-Aspidospermine ChemIDplus
1-Acetyl-17-methoxyaspidospermidine ChemIDplus
Aspidospermine KEGG COMPOUND
Manual Xrefs Databases
C00024452 KNApSAcK
C00024465 KNApSAcK
C09042 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
466-49-9 CAS Registry Number KEGG COMPOUND
466-49-9 CAS Registry Number ChemIDplus
48882 Reaxys Registry Number Reaxys
48882 Beilstein Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1206502 PubMed citation Europe PMC
17623291 PubMed citation Europe PMC
18098818 PubMed citation Europe PMC
5842754 PubMed citation Europe PMC
7841224 PubMed citation Europe PMC
Last Modified
28 July 2014