CHEBI:2535 - alangicine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alangicine
ChEBI ID CHEBI:2535
Definition An isoquinoline alkaloid that is 1',2'-didehydroemetan bearing two hydroxy substituents at positions 6' and 9 as well as three methoxy substituents at positions 7', 10 and 11.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H36N2O5
Net Charge 0
Average Mass 480.59592
Monoisotopic Mass 480.26242
InChI InChI=1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,31-32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1
InChIKey RVJBPTBCDSPZDC-CEXJFXJFSA-N
SMILES [H][C@]1(CC2=NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3c(O)c(OC)c(OC)cc23)C[C@@H]1CC
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.
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 alangicine (CHEBI:2535) has parent hydride emetan (CHEBI:36380)
alangicine (CHEBI:2535) has role plant metabolite (CHEBI:76924)
alangicine (CHEBI:2535) is a aromatic ether (CHEBI:35618)
alangicine (CHEBI:2535) is a isoquinoline alkaloid (CHEBI:24921)
alangicine (CHEBI:2535) is a isoquinolines (CHEBI:24922)
alangicine (CHEBI:2535) is a polyphenol (CHEBI:26195)
alangicine (CHEBI:2535) is a pyridoisoquinoline (CHEBI:61692)
IUPAC Names
(2R,3R,11bS)-3-ethyl-2-(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-ylmethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol
7',10,11-trimethoxy-1',2'-didehydroemetan-6',9-diol
Synonym Source
Alangicine KEGG COMPOUND
Manual Xrefs Databases
C00001795 KNApSAcK
C09327 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
16531-04-7 CAS Registry Number KEGG COMPOUND
905503 Reaxys Registry Number Reaxys
Last Modified
30 January 2015