(+)-pronuciferine (CHEBI:42)

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ChEBI Name	(+)-pronuciferine

ChEBI ID	CHEBI:42

Definition	An isoquinoline alkaloid isolated from Berberis coletioides.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H21NO3

Net Charge

Average Mass

311.37498

Monoisotopic Mass

311.15214

InChI

InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1

InChIKey

WUYQEGNOQLRQAQ-CQSZACIVSA-N

SMILES

[H][C@]12CC3(C=CC(=O)C=C3)c3c(OC)c(OC)cc(CCN1C)c23

Roles Classification
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	(+)-pronuciferine (CHEBI:42) has role plant metabolite (CHEBI:76924) (+)-pronuciferine (CHEBI:42) is a aromatic ether (CHEBI:35618) (+)-pronuciferine (CHEBI:42) is a cyclic ketone (CHEBI:3992) (+)-pronuciferine (CHEBI:42) is a isoquinoline alkaloid (CHEBI:24921) (+)-pronuciferine (CHEBI:42) is a isoquinolines (CHEBI:24922) (+)-pronuciferine (CHEBI:42) is a organic heterotetracyclic compound (CHEBI:38163)

IUPAC Name

(8a'R)-5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one

Last Modified

22 January 2015