thalicpureine (CHEBI:143869)

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ChEBI Name	thalicpureine

ChEBI ID	CHEBI:143869

Definition	A phenanthrene substituted by a 2-(methylamino)ethyl group at position 1 and by methoxy groups at positions 2,3,4,6 and 7, respectively. It is a plant metabolite isolated from Annona purpurea and Fagonia olivieri.

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

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C22H27NO5

Net Charge

Average Mass

385.460

Monoisotopic Mass

385.18892

InChI

InChI=1S/C22H27NO5/c1-23-10-9-15-14-8-7-13-11-17(24-2)18(25-3)12-16(13)19(14)21(27-5)22(28-6)20(15)26-4/h7-8,11-12,23H,9-10H2,1-6H3

InChIKey

VMIFHEUVQQHIOK-UHFFFAOYSA-N

SMILES

O(C1=C2C(=C(CCNC)C(OC)=C1OC)C=CC=3C2=CC(OC)=C(OC)C3)C

Metabolite of Species	Details
Annona purpurea (NCBI:txid1123437)	Found in leaf (BTO:0000713). See: PubMed
Fagonia olivieri (NCBI:txid291471)	Found in aerial part (BTO:0001658). 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 ) xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. (via phenanthrenes )

ChEBI Ontology
Outgoing	thalicpureine (CHEBI:143869) has role plant metabolite (CHEBI:76924) thalicpureine (CHEBI:143869) is a aromatic ether (CHEBI:35618) thalicpureine (CHEBI:143869) is a phenanthrene alkaloid (CHEBI:53791) thalicpureine (CHEBI:143869) is a phenanthrenes (CHEBI:25961) thalicpureine (CHEBI:143869) is a polyether (CHEBI:46774) thalicpureine (CHEBI:143869) is a secondary amino compound (CHEBI:50995)

IUPAC Names

N-methyl-2-(2,3,4,6,7-pentamethoxyphenanthren-1-yl)ethan-1-amine

N-methyl-2-(2,3,4,6,7-pentamethoxyphenanthren-1-yl)ethanamine

Synonym	Source
methyl[2-(2,3,4,6,7-pentamethoxyphenanthren-1-yl)ethyl]amine	ChEBI

Registry Number	Type	Source
218900-91-5	CAS Registry Number	KNApSAcK

Last Modified

07 June 2019