CHEBI:132640 - yunaconitine

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ChEBI Name yunaconitine
Definition A diterpene alkaloid with formula C35H49NO11 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 C35H49NO11
Net Charge 0
Average Mass 659.765
Monoisotopic Mass 659.33056
InChI InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
SMILES [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)(O)[C@@H]6OC(C7=CC=C(C=C7)OC)=O)[H])[H])OC(C)=O)[H])CC)(COC)[C@@H](C[C@@H]3OC)O)[H]
Metabolite of Species Details
Aconitum vilmorinianum (NCBI:txid226101) See: PubMed
Aconitum episcopale (NCBI:txid226106) Found in root (BTO:0001188). See: PubMed
Aconitum bulleyanum (NCBI:txid226111) See: PubMed
Aconitum piepunense (NCBI:txid226113) Found in root (BTO:0001188). See: PubMed
Aconitum nagarum (NCBI:txid50874) Found in root (BTO:0001188). See: PubMed
Aconitum hemsleyanum var. circinatum (NCBI:txid632157) Found in root (BTO:0001188). 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.
Any toxin produced by a plant.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
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.
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antifeedant
A substance that prevents pests from feeding.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing yunaconitine (CHEBI:132640) has parent hydride aconitane (CHEBI:35911)
yunaconitine (CHEBI:132640) has role antifeedant (CHEBI:22583)
yunaconitine (CHEBI:132640) has role human urinary metabolite (CHEBI:84087)
yunaconitine (CHEBI:132640) has role phytotoxin (CHEBI:38231)
yunaconitine (CHEBI:132640) has role plant metabolite (CHEBI:76924)
yunaconitine (CHEBI:132640) has role xenobiotic (CHEBI:35703)
yunaconitine (CHEBI:132640) is a acetate ester (CHEBI:47622)
yunaconitine (CHEBI:132640) is a aromatic ether (CHEBI:35618)
yunaconitine (CHEBI:132640) is a benzoate ester (CHEBI:36054)
yunaconitine (CHEBI:132640) is a bridged compound (CHEBI:35990)
yunaconitine (CHEBI:132640) is a diterpene alkaloid (CHEBI:23847)
yunaconitine (CHEBI:132640) is a organic heteropolycyclic compound (CHEBI:38166)
yunaconitine (CHEBI:132640) is a polyether (CHEBI:46774)
yunaconitine (CHEBI:132640) is a secondary alcohol (CHEBI:35681)
yunaconitine (CHEBI:132640) is a tertiary alcohol (CHEBI:26878)
yunaconitine (CHEBI:132640) is a tertiary amino compound (CHEBI:50996)
8-(acetyloxy)-20-ethyl-3α,13-dihydroxy-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitan-14α-yl 4-methoxybenzoate
Synonyms Sources
(1α,3α,6α,14α,16β)-8-(acetyloxy)-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate IUPAC
3-alpha,13-Dihydroxyforesaconitine ChemIDplus
Guayewuanine B ChemIDplus
Isoaconitine ChemIDplus
Vilmorrianine B ChemIDplus
Manual Xref Database
C00029255 KNApSAcK
View more database links
Registry Numbers Types Sources
5208037 Reaxys Registry Number Reaxys
5719764 Reaxys Registry Number Reaxys
70578-24-4 CAS Registry Number KNApSAcK
70578-24-4 CAS Registry Number ChemIDplus
9376610 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16755043 PubMed citation Europe PMC
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26767293 PubMed citation Europe PMC
335013 Chinese Abstracts citation Europe PMC
Last Modified
13 December 2016