CHEBI:141897 - dregamine

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ChEBI Name dregamine
ChEBI ID CHEBI:141897
Definition A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C21H26N2O3
Net Charge 0
Average Mass 354.444
Monoisotopic Mass 354.19434
InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14-,17-,19-/m0/s1
InChIKey FFVRRQMGGGTQRH-YWKPPDPDSA-N
SMILES CC[C@H]1CN(C)[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]1([C@@H]2C(=O)OC)[H])=O)[H]
Metabolite of Species Details
Tabernaemontana divaricata (NCBI:txid52861) See: Liying, H., Yunli, Z., Zhaoming, L. and Chun, W. 'Studies on the alkaloids of erchagouyahua (Ervatamia divaricata)' (1997). Chinese Traditional and Herbal Drugs, vol 28(8), p 451-454.
Tabernaemontana elegans (NCBI:txid761068) 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 dregamine (CHEBI:141897) has role plant metabolite (CHEBI:76924)
dregamine (CHEBI:141897) is a alkaloid ester (CHEBI:38481)
dregamine (CHEBI:141897) is a methyl ester (CHEBI:25248)
dregamine (CHEBI:141897) is a monoterpenoid indole alkaloid (CHEBI:65323)
dregamine (CHEBI:141897) is a organic heterotetracyclic compound (CHEBI:38163)
dregamine (CHEBI:141897) is a tertiary amino compound (CHEBI:50996)
Synonyms Sources
(−)-dregamine KNApSAcK
20-epitabernemontanine KNApSAcK
Manual Xref Database
C00025859 KNApSAcK
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Registry Numbers Types Sources
2299-26-5 CAS Registry Number ChemIDplus
2299-26-5 CAS Registry Number KNApSAcK
95953 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13740864 PubMed citation Europe PMC
14426722 PubMed citation Europe PMC
5516405 PubMed citation Europe PMC
Last Modified
06 March 2020