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CHEBI:17390 - allocryptopine

ChEBI IDCHEBI:17390
ChEBI Nameallocryptopine
Stars
Secondary ChEBI IDsCHEBI:2597, CHEBI:13762, CHEBI:22358
Last Modified24 March 2023
DownloadsMolfile
FormulaC21H23NO5
Net Charge0
Average Mass369.417
Monoisotopic Mass369.15762
SMILESCOc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3
InChIInChI=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
InChIKeyHYBRYAPKQCZIAE-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)
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  Source
AllocryptopineKEGG COMPOUND
5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-oneChemIDplus
ThalictrimineChemIDplus
alpha-AllocryptopineChemIDplus
alpha-FagarineChemIDplus
beta-HomochelidonineChemIDplus
UniProt Name  Source
allocryptopineUniProt
Manual XrefsDatabases
C02134KEGG COMPOUND
C00001799KNApSAcK
Registry NumbersSources
CAS:24240-04-8KEGG COMPOUND
CAS:485-91-6KEGG COMPOUND
Citations