(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941)

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ChEBI Name	(16R)-deshydroxymethyl-stemmadenine

ChEBI ID	CHEBI:142941

ChEBI ASCII Name	(16R)-deshydroxymethyl-stemmadenine

Definition	An organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7R is substituted by a methoxycarbonyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H24N2O2

Net Charge

Average Mass

324.418

Monoisotopic Mass

324.18378

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-10-8-14(13)18(20(23)24-2)19-16(9-11-22)15-6-4-5-7-17(15)21-19/h3-7,14,18,21H,8-12H2,1-2H3/b13-3-/t14-,18+/m0/s1

InChIKey

FWGFCRSCPPSXQL-YPSJNGCXSA-N

SMILES

C12=C(C=CC=C1)NC=3[C@@H]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])C(=O)OC

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	(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a bridged compound (CHEBI:35990) (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a methyl ester (CHEBI:25248) (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a monoterpenoid indole alkaloid (CHEBI:65323) (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a organic heterotetracyclic compound (CHEBI:38163) (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is conjugate base of (16R)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142670)

Incoming	(16R)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142670) is conjugate acid of (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941)

IUPAC Name

methyl (5E,6R,7R)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate

Synonyms	Sources
(16R)-deshydroxymethyl-stemmadenine	ChEBI
(16R)-deshydroxymethylstemmadenine	ChEBI

Citation	Type	Source
29511102	PubMed citation	SUBMITTER

Last Modified

17 January 2019