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CHEBI:132642 - foresticine

ChEBI IDCHEBI:132642
ChEBI Nameforesticine
Stars
DefinitionA diterpene alkaloid with formula C24H39NO6, originally isolated from Aconitum forrestii.
Last Modified14 December 2016
Submitterliuqingping
DownloadsMolfile
FormulaC24H39NO6
Net Charge0
Average Mass437.577
Monoisotopic Mass437.27774
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C2N(CC)C[C@]4(COC)CC[C@H](OC)[C@@]23[C@]4([H])[C@H]1O
InChIInChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(31-4)24-13-8-12-14(30-3)9-23(28,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21?,22+,23-,24+/m1/s1
InChIKeyAUFPYCWNRDFSAE-QVUBZLTISA-N
Species of MetaboliteComponentSourceComments
Aconitum forrestii (ncbitaxon:219065) root (BTO:0001188) DOI (10.1021/np50033a013)
Aconitum kusnezoffii (ncbitaxon:239685) root (BTO:0001188) PubMed (CBA:300080)
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)
foresticine (CHEBI:132642) has parent hydride aconitane (CHEBI:35911)
foresticine (CHEBI:132642) has role plant metabolite (CHEBI:76924)
foresticine (CHEBI:132642) is a bridged compound (CHEBI:35990)
foresticine (CHEBI:132642) is a diterpene alkaloid (CHEBI:23847)
foresticine (CHEBI:132642) is a organic heteropolycyclic compound (CHEBI:38166)
foresticine (CHEBI:132642) is a polyether (CHEBI:46774)
foresticine (CHEBI:132642) is a secondary alcohol (CHEBI:35681)
foresticine (CHEBI:132642) is a tertiary alcohol (CHEBI:26878)
foresticine (CHEBI:132642) is a tertiary amino compound (CHEBI:50996)
foresticine (CHEBI:132642) is a triol (CHEBI:27136)
IUPAC Name 
20-ethyl-1α,16β-dimethoxy-4-(methoxymethyl)aconitane-6α,8,14α-triol
Synonyms  Source
Longtouconitine BChemIDplus
(1α,6α,14α,16β)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,14-triolIUPAC
Manual XrefsDatabases
C00028277KNApSAcK
Registry NumbersSources
Reaxys:7829517Reaxys
Reaxys:6875652Reaxys
CAS:91794-15-9KNApSAcK
CAS:91794-15-9ChemIDplus
Citations