ankorine (CHEBI:2740)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	ankorine

ChEBI ID	CHEBI:2740

Definition	A pyridoisoquinoline that is 1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline which is substituted at positions 2, 3, and 8 by 2-hydroxyethyl, ethyl, and hydroxy groups, respectively, and by methoxy groups at positions 9 and 10 (the 2R,3R,11bS stereoisomer). It is a benzo[a]quinolizidine alkaloid isolated from the Indian medicinal plant Alangium lamarckii.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H29NO4

Net Charge

Average Mass

335.43790

Monoisotopic Mass

335.20966

InChI

InChI=1S/C19H29NO4/c1-4-12-11-20-7-5-14-15(16(20)9-13(12)6-8-21)10-17(23-2)19(24-3)18(14)22/h10,12-13,16,21-22H,4-9,11H2,1-3H3/t12-,13-,16-/m0/s1

InChIKey

UYQRWUWLBSTWCM-XEZPLFJOSA-N

SMILES

CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1CCO

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 )

ChEBI Ontology
Outgoing	ankorine (CHEBI:2740) has role plant metabolite (CHEBI:76924) ankorine (CHEBI:2740) is a aromatic ether (CHEBI:35618) ankorine (CHEBI:2740) is a isoquinoline alkaloid (CHEBI:24921) ankorine (CHEBI:2740) is a isoquinolines (CHEBI:24922) ankorine (CHEBI:2740) is a phenols (CHEBI:33853) ankorine (CHEBI:2740) is a primary alcohol (CHEBI:15734) ankorine (CHEBI:2740) is a pyridoisoquinoline (CHEBI:61692) ankorine (CHEBI:2740) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol

Synonym	Source
(−)-ankorine	ChEBI

Last Modified

21 April 2015