CHEBI:4319 - Daphnandrine

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ChEBI Name Daphnandrine
ChEBI ID CHEBI:4319
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H38N2O6
Net Charge 0
Average Mass 594.698
Monoisotopic Mass 594.27299
InChI InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey REKCBEFSIKOPTD-IZLXSDGUSA-N
SMILES COc1ccc2C[C@H]3NCCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
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 Daphnandrine (CHEBI:4319) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Daphnandrine (CHEBI:4319) is a isoquinolines (CHEBI:24922)
Synonym Source
Daphnandrine KEGG COMPOUND
Manual Xrefs Databases
C00001843 KNApSAcK
C09415 KEGG COMPOUND
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Registry Number Type Source
1183-76-2 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016