CHEBI:132644 - hypaconine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hypaconine
ChEBI ID CHEBI:132644
Definition A diterpene alkaloid with formula C24H39NO8, originally isolated from Aconitum carmichaeli.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C24H39NO8
Net Charge 0
Average Mass 469.569
Monoisotopic Mass 469.26757
InChI InChI=1S/C24H39NO8/c1-25-9-21(10-30-2)7-6-12(31-3)23-11-8-22(28)18(26)13(11)24(29,19(27)20(22)33-5)14(17(23)25)15(32-4)16(21)23/h11-20,26-29H,6-10H2,1-5H3/t11-,12+,13-,14+,15+,16-,17?,18-,19+,20+,21+,22-,23+,24-/m1/s1
InChIKey BQTYHFZQSAKNQU-WIGGLDDKSA-N
SMILES [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)[C@@H]5O)(O)[C@@H]6O)[H])[H])O)[H])C)(COC)CC[C@@H]3OC)[H]
Metabolite of Species Details
Aconitum carmichaelii (NCBI:txid85363) Found in root (BTO:0001188). See: PubMed
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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 hypaconine (CHEBI:132644) has parent hydride aconitane (CHEBI:35911)
hypaconine (CHEBI:132644) has role human urinary metabolite (CHEBI:84087)
hypaconine (CHEBI:132644) has role plant metabolite (CHEBI:76924)
hypaconine (CHEBI:132644) has role xenobiotic (CHEBI:35703)
hypaconine (CHEBI:132644) is a bridged compound (CHEBI:35990)
hypaconine (CHEBI:132644) is a diterpene alkaloid (CHEBI:23847)
hypaconine (CHEBI:132644) is a organic heteropolycyclic compound (CHEBI:38166)
hypaconine (CHEBI:132644) is a polyether (CHEBI:46774)
hypaconine (CHEBI:132644) is a secondary alcohol (CHEBI:35681)
hypaconine (CHEBI:132644) is a tertiary alcohol (CHEBI:26878)
hypaconine (CHEBI:132644) is a tertiary amino compound (CHEBI:50996)
hypaconine (CHEBI:132644) is a tetrol (CHEBI:33573)
IUPAC Name
1α,6α,16β-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14α,15α-tetrol
Synonym Source
(1α,6α,14α,15α,16β)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14,15-tetrol IUPAC
Registry Number Type Source
56982 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22223386 PubMed citation Europe PMC
22342149 PubMed citation Europe PMC
22816290 PubMed citation Europe PMC
24768806 PubMed citation Europe PMC
25744397 PubMed citation Europe PMC
25898581 PubMed citation Europe PMC
26390658 PubMed citation Europe PMC
Last Modified
14 December 2016