CHEBI:132642 - foresticine

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ChEBI Name foresticine
ChEBI ID CHEBI:132642
Definition A diterpene alkaloid with formula C24H39NO6, originally isolated from Aconitum forrestii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C24H39NO6
Net Charge 0
Average Mass 437.570
Monoisotopic Mass 437.27774
InChI InChI=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
InChIKey AUFPYCWNRDFSAE-QVUBZLTISA-N
SMILES [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4O)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)([H])[C@@H]6O)[H])[H])O)[H])CC)(COC)CC[C@@H]3OC)[H]
Metabolite of Species Details
Aconitum forrestii (NCBI:txid219065) Found in root (BTO:0001188). See: DOI
Aconitum kusnezoffii (NCBI:txid239685) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(1α,6α,14α,16β)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,14-triol IUPAC
Longtouconitine B ChemIDplus
Manual Xref Database
C00028277 KNApSAcK
View more database links
Registry Numbers Types Sources
6875652 Reaxys Registry Number Reaxys
7829517 Reaxys Registry Number Reaxys
91794-15-9 CAS Registry Number ChemIDplus
91794-15-9 CAS Registry Number KNApSAcK
Citation Waiting for Citations Type Source
300080 Chinese Abstracts citation Europe PMC
Last Modified
14 December 2016