chimonanthine (CHEBI:38955)

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ChEBI Name	chimonanthine

ChEBI ID	CHEBI:38955

Definition	A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'.

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

Supplier Information

Download	Molfile XML SDF

Formula

C22H26N4

Net Charge

Average Mass

346.46880

Monoisotopic Mass

346.21575

InChI

InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3

InChIKey

HOYXPMHLHJOGHD-UHFFFAOYSA-N

SMILES

CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21

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. (via calycanthaceous alkaloid ) 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	chimonanthine (CHEBI:38955) is a calycanthaceous alkaloid (CHEBI:38968) chimonanthine (CHEBI:38955) is a pyrroloindole (CHEBI:48133) chimonanthine (CHEBI:38955) is a ring assembly (CHEBI:36820)

Incoming	calycanthidine (CHEBI:38970) has functional parent chimonanthine (CHEBI:38955) folicanthine (CHEBI:38974) has functional parent chimonanthine (CHEBI:38955) (−)-chimonanthine (CHEBI:87) is a chimonanthine (CHEBI:38955) (+)-chimonanthine (CHEBI:38953) is a chimonanthine (CHEBI:38955) meso-chimonanthine (CHEBI:38971) is a chimonanthine (CHEBI:38955)

IUPAC Name

1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole

Last Modified

29 January 2015