alamarine (CHEBI:2534)

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ChEBI Name	alamarine

ChEBI ID	CHEBI:2534

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 1-hydroxyethyl substituents at positions 2, 3 and 12.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H18N2O4

Net Charge

Average Mass

338.35730

Monoisotopic Mass

338.12666

InChI

InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1

InChIKey

HDIPTJUHEOGXQC-SNVBAGLBSA-N

SMILES

COc1cc2CCn3c(cc4c(cncc4c3=O)[C@@H](C)O)-c2cc1O

Roles Classification
Biological Role(s):	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	alamarine (CHEBI:2534) is a alkaloid (CHEBI:22315) alamarine (CHEBI:2534) is a aromatic ether (CHEBI:35618) alamarine (CHEBI:2534) is a benzopyridoquinolizidine derivative (CHEBI:61880) alamarine (CHEBI:2534) is a isoquinolinonaphthyridine (CHEBI:49316) alamarine (CHEBI:2534) is a phenols (CHEBI:33853) alamarine (CHEBI:2534) is a secondary alcohol (CHEBI:35681)

IUPAC Name

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

Synonym	Source
Alamarine	KEGG COMPOUND

Registry Number	Type	Source
77156-18-4	CAS Registry Number	KEGG COMPOUND

Last Modified

30 January 2015