CHEBI:10014 - Voacamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Voacamine
ChEBI ID CHEBI:10014
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C43H52N4O5
Net Charge 0
Average Mass 704.898
Monoisotopic Mass 704.394
InChI InChI=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
InChIKey VCMIRXRRQJNZJT-QGDNWDNJSA-N
SMILES CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7C([C@@H](Cc8c6[nH]c6ccccc86)N(C)C\C7=C\C)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC
ChEBI Ontology
Outgoing Voacamine (CHEBI:10014) is a citraconoyl group (CHEBI:23315)
Synonyms Sources
Voacamine KEGG COMPOUND
voacanginine DrugCentral
vocamine DrugCentral
Manual Xrefs Databases
5100 DrugCentral
C00001785 KNApSAcK
C09252 KEGG COMPOUND
View more database links
Registry Number Type Source
3371-85-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017