2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060)

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CHEBI:77060 - 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

Default Structure

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ChEBI ID	CHEBI:77060
ChEBI Name	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Stars
ASCII Name	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Definition	An isoquinoline alkaloid that is 13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene substituted at positions 2, 3, 8 and 9 by methoxy groups.
Last Modified	21 January 2014
Submitter	Steve
Downloads	Molfile

Formula	C21H25NO4
Net Charge	0
Average Mass	355.434
Monoisotopic Mass	355.17836
SMILES	COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C
InChI	InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3
InChIKey	QEOWCPFWLCIQSL-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060) is a aromatic ether (CHEBI:35618)
	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060) is a isoquinoline alkaloid (CHEBI:24921)
	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060) is a organic heterotetracyclic compound (CHEBI:38163)
	2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
	(+)-argemonine (CHEBI:77059) is a 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060)
	(−)-argemonine (CHEBI:80) is a 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77060)

IUPAC Name
2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

Synonym	Source
argemonine	ChEBI