CHEBI:78567 - β-aminoarteether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-aminoarteether
ChEBI ID CHEBI:78567
ChEBI ASCII Name beta-aminoarteether
Definition An artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [β (S) configuration at the new stereocentre].
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H29NO5
Net Charge 0
Average Mass 327.41590
Monoisotopic Mass 327.20457
InChI InChI=1S/C17H29NO5/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10-15H,4-9,18H2,1-3H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
InChIKey HPGHCIXRRLNXRN-XQLAAWPRSA-N
SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Roles Classification
Chemical Role(s): oxidising agent
A substance that removes electrons from another reactant in a redox reaction.
(via peroxides )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-aminoarteether (CHEBI:78567) is a artemisinin derivative (CHEBI:63920)
β-aminoarteether (CHEBI:78567) is a primary amino compound (CHEBI:50994)
Incoming β-aminoarteether maleate (CHEBI:78570) has part β-aminoarteether (CHEBI:78567)
IUPAC Names
2-[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]ethanamine
2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}ethanamine
Synonyms Sources
10-(β-aminoethoxy)dihydroartemisinin ChEBI
2-(10β-dihydroartemisinoxy)ethylamine ChEBI
β-2'-aminoarteether ChEBI
Registry Number Type Source
7378418 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23459298 PubMed citation Europe PMC
Last Modified
16 May 2014