CHEBI:194501 - vaillantine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name vaillantine
ChEBI ID CHEBI:194501
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H23NO5
Net Charge 0
Average Mass 357.406
Monoisotopic Mass 357.15762
InChI InChI=1S/C20H23NO5/c1-21-7-6-13-9-17(23)18(24)10-14(13)16(22)8-12-4-5-19(25-2)20(26-3)15(12)11-21/h4-5,9-10,23-24H,6-8,11H2,1-3H3
InChIKey KERJSZZMJYDUGO-UHFFFAOYSA-N
SMILES C12=C(CC(C3=C(C=C(C(=C3)O)O)CCN(C1)C)=O)C=CC(=C2OC)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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 vaillantine (CHEBI:194501) is a aromatic ether (CHEBI:35618)
vaillantine (CHEBI:194501) is a cyclic acetal (CHEBI:59770)
vaillantine (CHEBI:194501) is a cyclic ketone (CHEBI:3992)
vaillantine (CHEBI:194501) is a dibenzazecine alkaloid (CHEBI:38608)
vaillantine (CHEBI:194501) is a organic heterotetracyclic compound (CHEBI:38163)
vaillantine (CHEBI:194501) is a tertiary amino compound (CHEBI:50996)
Synonym Source
vaillantine UniProt
Citation Waiting for Citations Type Source
23928311 PubMed citation SUBMITTER