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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10015 - vobasine
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ChEBI Ontology
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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.
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Molfile
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Molfile
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
)
View more via ChEBI Ontology
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
View more database links
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
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