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CHEBI:145333 - 19-O-acetylhörhammericine

ChEBI IDCHEBI:145333
ChEBI Name19-O-acetylhörhammericine
Stars
ASCII Name19-O-acetylhoerhammericine
DefinitionAn Aspidosperma alkaloid that is hörhammericine in which the hydroxy group at position 19 has been converted to the corresponding acetate ester. Note the stereoconfiguration of the epoxy group is based on CHEBI:144374, and that of the 19-acetoxy group on the hydroxy group of CHEBI:144372.
Last Modified11 November 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H26N2O5
Net Charge0
Average Mass410.470
Monoisotopic Mass410.18417
SMILES[H][C@@]12N3CC[C@]14C(=C(C(=O)OC)C[C@]2([C@@H](C)OC(C)=O)[C@H]1O[C@H]1C3)Nc1ccccc14
InChIInChI=1S/C23H26N2O5/c1-12(29-13(2)26)23-10-14(20(27)28-3)18-22(15-6-4-5-7-16(15)24-18)8-9-25(21(22)23)11-17-19(23)30-17/h4-7,12,17,19,21,24H,8-11H2,1-3H3/t12-,17+,19+,21-,22+,23+/m1/s1
InChIKeyUHJSNZNSAVJLSA-TZQKRGQNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
19-O-acetylhörhammericine (CHEBI:145333) has functional parent hörhammericine (CHEBI:5765)
19-O-acetylhörhammericine (CHEBI:145333) is a Aspidosperma alkaloid (CHEBI:142772)
19-O-acetylhörhammericine (CHEBI:145333) is a acetate ester (CHEBI:47622)
19-O-acetylhörhammericine (CHEBI:145333) is a epoxide (CHEBI:32955)
19-O-acetylhörhammericine (CHEBI:145333) is a methyl ester (CHEBI:25248)
19-O-acetylhörhammericine (CHEBI:145333) is a organic heterohexacyclic compound (CHEBI:51914)
19-O-acetylhörhammericine (CHEBI:145333) is a secondary amino compound (CHEBI:50995)
19-O-acetylhörhammericine (CHEBI:145333) is a tertiary amino compound (CHEBI:50996)
19-O-acetylhörhammericine (CHEBI:145333) is conjugate base of 19-O-acetylhörhammericine(1+) (CHEBI:144376)
Incoming Relation(s)
19-O-acetylhörhammericine(1+) (CHEBI:144376) is conjugate acid of 19-O-acetylhörhammericine (CHEBI:145333)
IUPAC Name 
methyl (20R)-20-acetoxy-5α,6α,7α,12β,19α-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate
Citations