CHEBI:769 - 16-methoxytabersonine

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ChEBI Name 16-methoxytabersonine
ChEBI ID CHEBI:769
Definition The 16-methoxy derivative of tabersonine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H26N2O3
Net Charge 0
Average Mass 366.45352
Monoisotopic Mass 366.19434
InChI InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1
InChIKey AEXBRBWRPNGGEZ-FKBYEOEOSA-N
SMILES [H][C@@]12N3CC[C@]11C(Nc4cc(OC)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 16-methoxytabersonine (CHEBI:769) has functional parent tabersonine (CHEBI:16776)
16-methoxytabersonine (CHEBI:769) is a methyl ester (CHEBI:25248)
16-methoxytabersonine (CHEBI:769) is a monoterpenoid indole alkaloid (CHEBI:65323)
16-methoxytabersonine (CHEBI:769) is a organic heteropentacyclic compound (CHEBI:38164)
16-methoxytabersonine (CHEBI:769) is a tertiary amino compound (CHEBI:50996)
16-methoxytabersonine (CHEBI:769) is conjugate base of 16-methoxytabersoninium(1+) (CHEBI:58930)
Incoming 16-methoxytabersoninium(1+) (CHEBI:58930) is conjugate acid of 16-methoxytabersonine (CHEBI:769)
IUPAC Name
methyl 16-methoxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate
Synonym Source
16-Methoxytabersonine KEGG COMPOUND
Manual Xrefs Databases
C00024481 KNApSAcK
C11675 KEGG COMPOUND
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Last Modified
03 March 2015