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CHEBI:10015 - vobasine

ChEBI IDCHEBI:10015
ChEBI Namevobasine
Stars
DefinitionAn indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position.
Last Modified2 May 2023
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H]/C(C)=C1\CN(C)[C@@]2([H])Cc3c(nc4ccccc34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC
InChIInChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19-/m0/s1
InChIKeyTYPMTMPLTVSOBU-XJHWFDBESA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
vobasine (CHEBI:10015) has functional parent perivine (CHEBI:141937)
vobasine (CHEBI:10015) has parent hydride vobasan (CHEBI:36372)
vobasine (CHEBI:10015) has role antiviral agent (CHEBI:22587)
vobasine (CHEBI:10015) is a alkaloid ester (CHEBI:38481)
vobasine (CHEBI:10015) is a cyclic ketone (CHEBI:3992)
vobasine (CHEBI:10015) is a indole alkaloid (CHEBI:38958)
vobasine (CHEBI:10015) is a methyl ester (CHEBI:25248)
vobasine (CHEBI:10015) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
methyl 3-oxovobasan-17-oate
Synonyms  Source
3-oxovobasan-17-oic acid, methyl esterChemIDplus
VobasineKEGG COMPOUND
UniProt Name  Source
vobasineUniProt
Manual XrefsDatabases
C00001786KNApSAcK
C09253KEGG COMPOUND
US2007232588Patent
Registry NumbersSources
Beilstein:95955Beilstein
CAS:2134-83-0KEGG COMPOUND
CAS:2134-83-0ChemIDplus
Citations