CHEBI:132631 - senbusine A

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ChEBI Name senbusine A
ChEBI ID CHEBI:132631
Definition A diterpene alkaloid with formula C23H37NO6 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 C23H37NO6
Net Charge 0
Average Mass 423.544
Monoisotopic Mass 423.26209
InChI InChI=1S/C23H37NO6/c1-4-24-9-21(10-29-2)6-5-14(25)23-12-7-11-13(30-3)8-22(28,15(12)17(11)26)16(20(23)24)18(27)19(21)23/h11-20,25-28H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20?,21+,22-,23+/m1/s1
InChIKey FNRMXORIKJLSGX-LZJIYQGWSA-N
SMILES [C@@]123C4[C@@]([C@]5(C[C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6O)[H])[H])[H])OC)O)([C@@H]([C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])O)[H]
Metabolite of Species Details
Aconitum napellus (NCBI:txid112591) See: PubMed
Aconitum soongaricum (NCBI:txid568276) Found in root (BTO:0001188). See: PubMed
Aconitum hemsleyanum var. circinatum (NCBI:txid632157) 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing senbusine A (CHEBI:132631) has parent hydride aconitane (CHEBI:35911)
senbusine A (CHEBI:132631) has role plant metabolite (CHEBI:76924)
senbusine A (CHEBI:132631) is a bridged compound (CHEBI:35990)
senbusine A (CHEBI:132631) is a diether (CHEBI:46786)
senbusine A (CHEBI:132631) is a diterpene alkaloid (CHEBI:23847)
senbusine A (CHEBI:132631) is a organic heteropolycyclic compound (CHEBI:38166)
senbusine A (CHEBI:132631) is a secondary alcohol (CHEBI:35681)
senbusine A (CHEBI:132631) is a tertiary alcohol (CHEBI:26878)
senbusine A (CHEBI:132631) is a tertiary amino compound (CHEBI:50996)
senbusine A (CHEBI:132631) is a tetrol (CHEBI:33573)
IUPAC Name
20-ethyl-16β-methoxy-4-(methoxymethyl)aconitane-1α,6α,8,14α-tetrol
Synonym Source
(1α,6α,14α,16β)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,6,8,14-tetrol IUPAC
Manual Xref Database
C00028990 KNApSAcK
View more database links
Registry Numbers Types Sources
22870075 Reaxys Registry Number Reaxys
6874599 Reaxys Registry Number Reaxys
7827809 Reaxys Registry Number Reaxys
82202-95-7 CAS Registry Number ChemIDplus
82202-95-7 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
17432903 PubMed citation Europe PMC
23876370 PubMed citation Europe PMC
26240038 PubMed citation Europe PMC
27328130 PubMed citation Europe PMC
377646 Chinese Abstracts citation Europe PMC
Last Modified
25 November 2016