CHEBI:7853 - oxyacanthine

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ChEBI Name oxyacanthine
ChEBI ID CHEBI:7853
Definition A macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H40N2O6
Net Charge 0
Average Mass 608.72338
Monoisotopic Mass 608.28864
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
InChIKey HGNHIFJNOKGSKI-WDYNHAJCSA-N
SMILES [H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3
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 oxyacanthine (CHEBI:7853) has parent hydride oxyacanthan (CHEBI:36323)
oxyacanthine (CHEBI:7853) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
oxyacanthine (CHEBI:7853) is a isoquinolines (CHEBI:24922)
oxyacanthine (CHEBI:7853) is a macrocycle (CHEBI:51026)
oxyacanthine (CHEBI:7853) is a phenols (CHEBI:33853)
oxyacanthine (CHEBI:7853) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
6,6',7-trimethoxy-2,2'-dimethyloxyacanthan-12'-ol
Synonyms Sources
Oxyacanthine KEGG COMPOUND
oxycanthine ChemIDplus
vinetine ChEBI
Manual Xrefs Databases
C00001897 KNApSAcK
C09598 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
548-40-3 CAS Registry Number ChemIDplus
78855 Reaxys Registry Number Reaxys
78855 Beilstein Registry Number Beilstein
Last Modified
12 August 2016