CHEBI:2487 - Adiantifoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Adiantifoline
ChEBI ID CHEBI:2487
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C42H50N2O9
Net Charge 0
Average Mass 726.856
Monoisotopic Mass 726.35163
InChI InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1
InChIKey UEKRHVIBSZVFQN-KYJUHHDHSA-N
SMILES COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5c(OC)c(OC)c(OC)c(-c3cc2OC)c45)cc1OC
Roles Classification
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 Adiantifoline (CHEBI:2487) is a aporphine alkaloid (CHEBI:134209)
Adiantifoline (CHEBI:2487) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Synonym Source
Adiantifoline KEGG COMPOUND
Manual Xrefs Databases
C00001791 KNApSAcK
C09323 KEGG COMPOUND
View more database links
Registry Number Type Source
20823-96-5 CAS Registry Number KEGG COMPOUND
Last Modified
04 January 2017