CHEBI:77051 - 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
ChEBI ID CHEBI:77051
ChEBI ASCII Name 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Definition An isoquinoline alkaloid that is 5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene substituted at positions 2, 3, 8 and 9 by methoxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H23NO4
Net Charge 0
Average Mass 341.40090
Monoisotopic Mass 341.16271
InChI InChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3
InChIKey SRSPZLZVGPJHJH-UHFFFAOYSA-N
SMILES COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051) is a aromatic ether (CHEBI:35618)
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051) is a isoquinoline alkaloid (CHEBI:24921)
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051) is a organic heterotetracyclic compound (CHEBI:38163)
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051) is a secondary amino compound (CHEBI:50995)
Incoming (R,R)-pavine (CHEBI:77049) is a 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051)
(S,S)-pavine (CHEBI:77050) is a 2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene (CHEBI:77051)
IUPAC Name
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
Synonym Source
pavine ChEBI
Registry Number Type Source
343994 Reaxys Registry Number Reaxys
Last Modified
21 January 2014