CHEBI:10014 - Voacamine

ChEBI IDCHEBI:10014
ChEBI NameVoacamine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC43H52N4O5
Net Charge0
Average Mass704.912
Monoisotopic Mass704.39377
SMILES[H][C@]1(c2cc3nc4c(c3cc2OC)CC[N@@]2C[C@H]3C[C@H](CC)[C@@]2([H])[C@@]4(C(=O)OC)C3)C[C@H]2/C(=C\C)CN(C)[C@H](Cc3c1nc1ccccc31)C2C(=O)OC
InChIInChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37?,40-,43+/m0/s1
InChIKeyVCMIRXRRQJNZJT-QGDNWDNJSA-N
ChEBI Ontology
Outgoing Relation(s)
Voacamine (CHEBI:10014) is a citraconoyl group (CHEBI:23315)
Synonyms  Source
VoacamineKEGG COMPOUND
voacanginineDrugCentral
vocamineDrugCentral
Manual XrefsDatabases
5100DrugCentral
C00001785KNApSAcK
C09252KEGG COMPOUND
Registry NumbersSources
CAS:3371-85-5KEGG COMPOUND