CHEBI:8622 - Psychotrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Psychotrine
ChEBI ID CHEBI:8622
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H36N2O4
Net Charge 0
Average Mass 464.597
Monoisotopic Mass 464.26751
InChI InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1
InChIKey NCALAYAMQHIWMN-REIDKSKDSA-N
SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc12
ChEBI Ontology
Outgoing Psychotrine (CHEBI:8622) is a isoquinolines (CHEBI:24922)
Synonym Source
Psychotrine KEGG COMPOUND
Manual Xrefs Databases
C00001907 KNApSAcK
C09612 KEGG COMPOUND
View more database links
Registry Number Type Source
7633-29-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014