CHEBI:132629 - neoline

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ChEBI Name neoline
ChEBI ID CHEBI:132629
Definition A diterpene alkaloid with formula C24H39NO6 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 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(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)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 XRARAKHBJHWUHW-QVUBZLTISA-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])OC)[H]
Metabolite of Species Details
Aconitum napellus (NCBI:txid112591) See: PubMed
Aconitum brachypodum (NCBI:txid226103) See: PubMed
Aconitum flavum (NCBI:txid286045) Found in root (BTO:0001188). See: PubMed
Aconitum pendulum (NCBI:txid50878) See: PubMed
Aconitum carmichaelii (NCBI:txid85363) 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 neoline (CHEBI:132629) has parent hydride aconitane (CHEBI:35911)
neoline (CHEBI:132629) has role plant metabolite (CHEBI:76924)
neoline (CHEBI:132629) is a bridged compound (CHEBI:35990)
neoline (CHEBI:132629) is a diterpene alkaloid (CHEBI:23847)
neoline (CHEBI:132629) is a organic heteropolycyclic compound (CHEBI:38166)
neoline (CHEBI:132629) is a polyether (CHEBI:46774)
neoline (CHEBI:132629) is a secondary alcohol (CHEBI:35681)
neoline (CHEBI:132629) is a tertiary alcohol (CHEBI:26878)
neoline (CHEBI:132629) is a tertiary amino compound (CHEBI:50996)
neoline (CHEBI:132629) is a triol (CHEBI:27136)
IUPAC Name
20-ethyl-6α,16β-dimethoxy-4-(methoxymethyl)aconitane-1α,8,14α-triol
Synonyms Sources
(1α,6α,14α,16β)-20-ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol IUPAC
Bullatine-B ChemIDplus
Dideacetyldelphisine ChemIDplus
Manual Xref Database
C00028671 KNApSAcK
View more database links
Registry Numbers Types Sources
466-26-2 CAS Registry Number KNApSAcK
466-26-2 CAS Registry Number ChemIDplus
49059 Reaxys Registry Number Reaxys
6237550 Reaxys Registry Number Reaxys
8371493 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21754813 PubMed citation Europe PMC
22907155 PubMed citation Europe PMC
23876370 PubMed citation Europe PMC
24791539 PubMed citation Europe PMC
26240038 PubMed citation Europe PMC
26564737 PubMed citation Europe PMC
26697695 PubMed citation Europe PMC
26896350 PubMed citation Europe PMC
27038579 PubMed citation Europe PMC
27183898 PubMed citation Europe PMC
27624993 PubMed citation Europe PMC
27771457 PubMed citation Europe PMC
Last Modified
24 November 2016