mesaconine (CHEBI:132645)

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CHEBI:132645 - mesaconine

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ChEBI ID	CHEBI:132645
ChEBI Name	mesaconine
Stars
Definition	A diterpene alkaloid with formula C₂₄H₃₉NO₉ that is isolated from the roots of Aconitum carmichaelii.
Last Modified	25 November 2016
Submitter	liuqingping
Downloads	Molfile

Formula	C24H39NO9
Net Charge	0
Average Mass	485.574
Monoisotopic Mass	485.26248
SMILES	[H][C@@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@@](O)([C@@]1([H])[C@H]3O)[C@]1([H])C3N(C)C[C@]4(COC)[C@H](O)C[C@H](OC)[C@@]32[C@]4([H])[C@H]1OC
InChI	InChI=1S/C24H39NO9/c1-25-8-21(9-31-2)11(26)6-12(32-3)23-10-7-22(29)18(27)13(10)24(30,19(28)20(22)34-5)14(17(23)25)15(33-4)16(21)23/h10-20,26-30H,6-9H2,1-5H3/t10-,11-,12+,13-,14+,15+,16-,17?,18-,19+,20+,21+,22-,23+,24-/m1/s1
InChIKey	GQRPJUIKGLHLLN-VSTHTWNCSA-N

Species of Metabolite	Component	Source	Comments
Aconitum carmichaelii (ncbitaxon:85363)	root (BTO:0001188)	PubMed (22223386)

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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.

ChEBI Ontology

Outgoing Relation(s)
	mesaconine (CHEBI:132645) has parent hydride aconitane (CHEBI:35911)
	mesaconine (CHEBI:132645) has role plant metabolite (CHEBI:76924)
	mesaconine (CHEBI:132645) is a bridged compound (CHEBI:35990)
	mesaconine (CHEBI:132645) is a diterpene alkaloid (CHEBI:23847)
	mesaconine (CHEBI:132645) is a organic heteropolycyclic compound (CHEBI:38166)
	mesaconine (CHEBI:132645) is a pentol (CHEBI:37205)
	mesaconine (CHEBI:132645) is a polyether (CHEBI:46774)
	mesaconine (CHEBI:132645) is a secondary alcohol (CHEBI:35681)
	mesaconine (CHEBI:132645) is a tertiary alcohol (CHEBI:26878)
	mesaconine (CHEBI:132645) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
1α,6α,16β-trimethoxy-4-(methoxymethyl)-20-methylaconitane-3α,8,13,14α,15α-pentol

Synonym	Source
(1α,3α,6α,14α,15α,16β)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitane-3,8,13,14,15-pentol	IUPAC

Manual Xrefs	Databases
101671037	PubChem Compound

Registry Numbers	Sources
Reaxys:59256	Reaxys
Reaxys:21630205	Reaxys

Citations