CHEBI:10015 - vobasine

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ChEBI Name vobasine
ChEBI ID CHEBI:10015
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H24N2O3
Net Charge 0
Average Mass 352.42690
Monoisotopic Mass 352.17869
InChI InChI=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
InChIKey TYPMTMPLTVSOBU-XJHWFDBESA-N
SMILES COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\C(CN2C)=C/C
Roles Classification
Biological Role(s): 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.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Sources
3-oxovobasan-17-oic acid, methyl ester ChemIDplus
Vobasine KEGG COMPOUND
vobasine UniProt
Manual Xrefs Databases
C00001786 KNApSAcK
C09253 KEGG COMPOUND
US2007232588 Patent
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Registry Numbers Types Sources
2134-83-0 CAS Registry Number KEGG COMPOUND
2134-83-0 CAS Registry Number ChemIDplus
95955 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17265301 PubMed citation Europe PMC
17404903 PubMed citation Europe PMC
19525111 PubMed citation Europe PMC
21353756 PubMed citation Europe PMC
35671807 PubMed citation Europe PMC
4021514 PubMed citation Europe PMC
5654925 PubMed citation Europe PMC
Last Modified
02 May 2023