allocryptopine (CHEBI:17390)

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ChEBI Name	allocryptopine

ChEBI ID	CHEBI:17390

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

Secondary ChEBI IDs	CHEBI:13762, CHEBI:22358, CHEBI:2597

Supplier Information

Download	Molfile XML SDF

Formula

C21H23NO5

Net Charge

Average Mass

369.41106

Monoisotopic Mass

369.15762

InChI

InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3

InChIKey

HYBRYAPKQCZIAE-UHFFFAOYSA-N

SMILES

COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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	allocryptopine (CHEBI:17390) is a aromatic ether (CHEBI:35618) allocryptopine (CHEBI:17390) is a cyclic acetal (CHEBI:59770) allocryptopine (CHEBI:17390) is a cyclic ketone (CHEBI:3992) allocryptopine (CHEBI:17390) is a dibenzazecine alkaloid (CHEBI:38608) allocryptopine (CHEBI:17390) is a organic heterotetracyclic compound (CHEBI:38163) allocryptopine (CHEBI:17390) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one

Synonyms	Sources
5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one	ChemIDplus
Allocryptopine	KEGG COMPOUND
allocryptopine	UniProt
alpha-Allocryptopine	ChemIDplus
alpha-Fagarine	ChemIDplus
beta-Homochelidonine	ChemIDplus
Thalictrimine	ChemIDplus

Last Modified

24 March 2023