CHEBI:5677 - Hernandezine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hernandezine
ChEBI ID CHEBI:5677
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H44N2O7
Net Charge 0
Average Mass 652.777
Monoisotopic Mass 652.31485
InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
InChIKey FUZMQNZACIFDBL-KYJUHHDHSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
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 Hernandezine (CHEBI:5677) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Hernandezine (CHEBI:5677) is a isoquinolines (CHEBI:24922)
Synonym Source
Hernandezine KEGG COMPOUND
Manual Xrefs Databases
C00001866 KNApSAcK
C09461 KEGG COMPOUND
View more database links
Registry Number Type Source
6681-13-6 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016