acetylcaranine (CHEBI:2415)

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ChEBI Name	acetylcaranine

ChEBI ID	CHEBI:2415

Definition	An organic heteropentacyclic compound that is caranine in which the hydroxy group is acetylated.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H19NO4

Net Charge

Average Mass

313.34780

Monoisotopic Mass

313.13141

InChI

InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1

InChIKey

SEWQEQSXDGJDGG-ZTFGCOKTSA-N

SMILES

[H][C@]12[C@@H](CC=C3CCN(Cc4cc5OCOc5cc14)[C@@]23[H])OC(C)=O

Metabolite of Species	Details
Ammocharis coranica (NCBI:txid180132)	See: PubMed
Amaryllis belladonna (NCBI:txid51432)	See: PubMed

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	acetylcaranine (CHEBI:2415) has functional parent caranine (CHEBI:3383) acetylcaranine (CHEBI:2415) has role plant metabolite (CHEBI:76924) acetylcaranine (CHEBI:2415) is a acetate ester (CHEBI:47622) acetylcaranine (CHEBI:2415) is a alkaloid (CHEBI:22315) acetylcaranine (CHEBI:2415) is a organic heteropentacyclic compound (CHEBI:38164)

IUPAC Names

(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl acetate

1α-acetoxy-9,10-methylenedioxygalanth-3(12)-ene

Last Modified

23 January 2015