CHEBI:4323 - Daphnoline

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ChEBI Name Daphnoline
ChEBI ID CHEBI:4323
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H36N2O6
Net Charge 0
Average Mass 580.671
Monoisotopic Mass 580.25734
InChI InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1
InChIKey AKGWXHYTRBFUAD-SXOMAYOGSA-N
SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6NCCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4
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 Daphnoline (CHEBI:4323) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Daphnoline (CHEBI:4323) is a isoquinolines (CHEBI:24922)
Synonym Source
Daphnoline KEGG COMPOUND
Manual Xrefs Databases
C00001844 KNApSAcK
C09418 KEGG COMPOUND
View more database links
Registry Number Type Source
479-36-7 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016