CHEBI:2625 - amataine

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ChEBI Name amataine
ChEBI ID CHEBI:2625
Definition A polycyclic indole alkaloid that is obtained from the root bark of Voacanga africana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H48N4O6
Net Charge 0
Average Mass 716.86458
Monoisotopic Mass 716.35739
InChI InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
InChIKey RZBFPDQKWUWUCK-SFUBKHQQSA-N
SMILES [H][C@]12C[C@]34CCO[C@@]3([H])CCN3CC[C@@]5(c6cccc(OC)c6N6C[C@@]7(C1)[C@@]([H])(O[C@]256)N1CC[C@@]25C(Nc6ccccc26)=C(C[C@@]2(CCO[C@@]72[H])[C@]15[H])C(=O)OC)[C@]43[H]
Metabolite of Species Details
Voacanga africana (NCBI:txid141630) Found in root (BTO:0001188). 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 amataine (CHEBI:2625) has role plant metabolite (CHEBI:76924)
amataine (CHEBI:2625) is a aromatic ether (CHEBI:35618)
amataine (CHEBI:2625) is a bridged compound (CHEBI:35990)
amataine (CHEBI:2625) is a indole alkaloid (CHEBI:38958)
amataine (CHEBI:2625) is a methyl ester (CHEBI:25248)
amataine (CHEBI:2625) is a organic heteropolycyclic compound (CHEBI:38166)
amataine (CHEBI:2625) is a spiro compound (CHEBI:33599)
IUPAC Name
methyl ent-6β,21;8β,2';6'β,21'-triepoxy-17'-methoxy-2,3-didehydro-(7αC4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylate
Synonyms Sources
Amataine KEGG COMPOUND
Grandifoline ChemIDplus
Subssesiline KEGG COMPOUND
Manual Xrefs Databases
C00001684 KNApSAcK
C08433 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1070890 Reaxys Registry Number Reaxys
31148-60-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25052206 PubMed citation Europe PMC
Last Modified
06 March 2015