CHEBI:132628 - isotalatizidine

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ChEBI Name isotalatizidine
ChEBI ID CHEBI:132628
Definition A diterpene alkaloid that is aconitane bearing hydroxy groups at the 1α, 8, and 14α positions and substituted at on the nitrogen and at positions 4 and 16β by ethyl, methoxymethyl, and methoxy groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C23H37NO5
Net Charge 0
Average Mass 407.544
Monoisotopic Mass 407.26717
InChI InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22+,23-/m1/s1
InChIKey RBSZCNOWHDHRFZ-JPAZAREGSA-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[C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])[H]
Metabolite of Species Details
Aconitum anthora (NCBI:txid112588) Found in whole plant (BTO:0001461). See: PubMed
Aconitum napellus (NCBI:txid112591) See: PubMed
Delphinium denudatum (NCBI:txid1127156) Found in root (BTO:0001188). See: PubMed
Aconitum gymnandrum (NCBI:txid215071) See: PubMed
Aconitum nagarum (NCBI:txid50874) Found in root (BTO:0001188). See: PubMed
Aconitum geniculatum (NCBI:txid632155) 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 isotalatizidine (CHEBI:132628) has parent hydride aconitane (CHEBI:35911)
isotalatizidine (CHEBI:132628) has role plant metabolite (CHEBI:76924)
isotalatizidine (CHEBI:132628) is a bridged compound (CHEBI:35990)
isotalatizidine (CHEBI:132628) is a diether (CHEBI:46786)
isotalatizidine (CHEBI:132628) is a diterpene alkaloid (CHEBI:23847)
isotalatizidine (CHEBI:132628) is a organic heteropolycyclic compound (CHEBI:38166)
isotalatizidine (CHEBI:132628) is a secondary alcohol (CHEBI:35681)
isotalatizidine (CHEBI:132628) is a tertiary alcohol (CHEBI:26878)
isotalatizidine (CHEBI:132628) is a tertiary amino compound (CHEBI:50996)
isotalatizidine (CHEBI:132628) is a triol (CHEBI:27136)
IUPAC Name
20-ethyl-16β-methoxy-4-(methoxymethyl)aconitane-1α,8,14α-triol
Synonym Source
(1α,14α,16β)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol IUPAC
Manual Xrefs Databases
11452543 PubChem
C00028417 KNApSAcK
View more database links
Registry Numbers Types Sources
4940561 Reaxys Registry Number Reaxys
7633-68-3 CAS Registry Number KNApSAcK
7633-68-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11145143 PubMed citation Europe PMC
20862641 PubMed citation Europe PMC
23225552 PubMed citation Europe PMC
23876370 PubMed citation Europe PMC
335013 Chinese Abstracts citation Europe PMC
337598 Chinese Abstracts citation Europe PMC
338609 Chinese Abstracts citation Europe PMC
6045606 PubMed citation Europe PMC
8368077 PubMed citation Europe PMC
9170290 PubMed citation Europe PMC
Last Modified
24 November 2016