alangimarine (CHEBI:2537)

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ChEBI Name	alangimarine

ChEBI ID	CHEBI:2537

Definition	A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and vinyl substituents at positions 2, 3 and 12 respectively.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H16N2O3

Net Charge

Average Mass

320.34202

Monoisotopic Mass

320.11609

InChI

InChI=1S/C19H16N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6-10,22H,1,4-5H2,2H3

InChIKey

JWOCTFIJQXTYOK-UHFFFAOYSA-N

SMILES

COc1cc2CCn3c(cc4c(C=C)cncc4c3=O)-c2cc1O

Metabolite of Species	Details
Alangium salviifolium (NCBI:txid616984)	See: Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21

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	alangimarine (CHEBI:2537) has role plant metabolite (CHEBI:76924) alangimarine (CHEBI:2537) is a aromatic ether (CHEBI:35618) alangimarine (CHEBI:2537) is a benzopyridoquinolizidine derivative (CHEBI:61880) alangimarine (CHEBI:2537) is a isoquinoline alkaloid (CHEBI:24921) alangimarine (CHEBI:2537) is a isoquinolinonaphthyridine (CHEBI:49316) alangimarine (CHEBI:2537) is a olefinic compound (CHEBI:78840) alangimarine (CHEBI:2537) is a phenols (CHEBI:33853)

IUPAC Name

12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one

Synonyms	Sources
2-hydroxy-3-methoxy-12-vinyl-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one	IUPAC
Alangimarine	KEGG COMPOUND

Last Modified

04 February 2015