CHEBI:145333 - 19-O-acetylhörhammericine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 19-O-acetylhörhammericine
ChEBI ID CHEBI:145333
ChEBI ASCII Name 19-O-acetylhoerhammericine
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H26N2O5
Net Charge 0
Average Mass 410.470
Monoisotopic Mass 410.18417
InChI InChI=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
InChIKey UHJSNZNSAVJLSA-TZQKRGQNSA-N
SMILES C=1(C[C@]2([C@@]3(N(C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])[C@@H](C)OC(=O)C)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 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 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 Waiting for Citations Types Sources
17574634 PubMed citation Europe PMC
29438577 PubMed citation SUBMITTER
29934299 PubMed citation Europe PMC
31009114 PubMed citation SUBMITTER
Last Modified
11 November 2019