CHEBI:132637 - foresaconitine

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ChEBI Name foresaconitine
ChEBI ID CHEBI:132637
Definition A diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C35H49NO9
Net Charge 0
Average Mass 627.766
Monoisotopic Mass 627.34073
InChI InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31?,33+,34-,35+/m1/s1
InChIKey LYUPEIXJYAJCHL-RMQZIYKOSA-N
SMILES [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)([H])[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)CC[C@@H]3OC)[H]
Metabolite of Species Details
Aconitum bulleyanum (NCBI:txid226111) See: PubMed
Aconitum longtounens (NCBI:txid50873) See: PubMed
Aconitum carmichaelii (NCBI:txid85363) Found in tuber (BTO:0001400). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). 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 foresaconitine (CHEBI:132637) has parent hydride aconitane (CHEBI:35911)
foresaconitine (CHEBI:132637) has role human urinary metabolite (CHEBI:84087)
foresaconitine (CHEBI:132637) has role plant metabolite (CHEBI:76924)
foresaconitine (CHEBI:132637) has role xenobiotic (CHEBI:35703)
foresaconitine (CHEBI:132637) is a acetate ester (CHEBI:47622)
foresaconitine (CHEBI:132637) is a aromatic ether (CHEBI:35618)
foresaconitine (CHEBI:132637) is a benzoate ester (CHEBI:36054)
foresaconitine (CHEBI:132637) is a bridged compound (CHEBI:35990)
foresaconitine (CHEBI:132637) is a diterpene alkaloid (CHEBI:23847)
foresaconitine (CHEBI:132637) is a organic heteropolycyclic compound (CHEBI:38166)
foresaconitine (CHEBI:132637) is a polyether (CHEBI:46774)
foresaconitine (CHEBI:132637) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
8-(acetyloxy)-20-ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitan-14α-yl 4-methoxybenzoate
Synonyms Sources
(1α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate IUPAC
Vilmorrianine C KNApSAcK
Manual Xref Database
C00028276 KNApSAcK
View more database links
Registry Numbers Types Sources
5689955 Reaxys Registry Number Reaxys
73870-35-6 CAS Registry Number KNApSAcK
7962141 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11599346 PubMed citation Europe PMC
12913245 PubMed citation Europe PMC
17555909 PubMed citation Europe PMC
19894536 PubMed citation Europe PMC
24380280 PubMed citation Europe PMC
26767293 PubMed citation Europe PMC
279655 Chinese Abstracts citation Europe PMC
Last Modified
13 December 2016