EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:5765 - hörhammericine

ChEBI IDCHEBI:5765
ChEBI Namehörhammericine
Stars
ASCII Namehoerhammericine
DefinitionAn Aspidosperma alkaloid with formula C21H24N2O4 found in Catharantheus lanceus. Note that the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19 hydroxy group on CHEBI:144372 (the same enzyme produces the two).
Last Modified22 August 2023
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@@]12N3CC[C@]14C(=C(C(=O)OC)C[C@]2([C@@H](C)O)[C@H]1O[C@H]1C3)Nc1ccccc14
InChIInChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15+,17+,19-,20+,21+/m1/s1
InChIKeyQVNXPWJNUKKMHP-JJGNIUBRSA-N
Species of MetaboliteComponentSourceComments
Catharanthus lanceus (ncbitaxon:1750993) - Article (Indoles, Part 4: The Monoterpenoid Indole Alkaloids Volume 88 of Chemistry of Heterocyclic Compounds: A Series Of Monographs (Ed. J. E. Saxton; John Wiley and Sons, 2009), p364.)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
hörhammericine (CHEBI:5765) has role plant metabolite (CHEBI:76924)
hörhammericine (CHEBI:5765) is a Aspidosperma alkaloid (CHEBI:142772)
hörhammericine (CHEBI:5765) is a epoxide (CHEBI:32955)
hörhammericine (CHEBI:5765) is a methyl ester (CHEBI:25248)
hörhammericine (CHEBI:5765) is a organic heterohexacyclic compound (CHEBI:51914)
hörhammericine (CHEBI:5765) is a secondary alcohol (CHEBI:35681)
hörhammericine (CHEBI:5765) is a secondary amino compound (CHEBI:50995)
hörhammericine (CHEBI:5765) is a tertiary amino compound (CHEBI:50996)
hörhammericine (CHEBI:5765) is conjugate base of hörhammericine(1+) (CHEBI:144375)
Incoming Relation(s)
19-O-acetylhörhammericine (CHEBI:145333) has functional parent hörhammericine (CHEBI:5765)
hörhammericine(1+) (CHEBI:144375) is conjugate acid of hörhammericine (CHEBI:5765)
Synonym  Source
HorhammericineKEGG COMPOUND
Citations