CHEBI:75049 - cerberin

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ChEBI Name cerberin
ChEBI ID CHEBI:75049
Definition A cardenolide glycoside that is the 2'-acetyl derivative of neriifolin.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H48O9
Net Charge 0
Average Mass 576.71810
Monoisotopic Mass 576.330
InChI InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1
InChIKey UYQMTWMXBKEHJQ-IVHDSYOHSA-N
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cerberin (CHEBI:75049) has functional parent neriifolin (CHEBI:7522)
cerberin (CHEBI:75049) has role antineoplastic agent (CHEBI:35610)
cerberin (CHEBI:75049) has role metabolite (CHEBI:25212)
cerberin (CHEBI:75049) is a acetate ester (CHEBI:47622)
cerberin (CHEBI:75049) is a cardenolide glycoside (CHEBI:38092)
cerberin (CHEBI:75049) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(3β,5β)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Synonyms Sources
2'-Acetylneriifolin KEGG COMPOUND
3β-O-(L-2'-O-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide ChEBI
Database Links Databases
C19984 KEGG COMPOUND
Cerberin Wikipedia
View more database links
Registry Numbers Types Sources
101650 Reaxys Registry Number Reaxys
25633-33-4 CAS Registry Number KEGG COMPOUND
25633-33-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14202490 PubMed citation Europe PMC
14759549 PubMed citation Europe PMC
15305009 PubMed citation Europe PMC
15507323 PubMed citation Europe PMC
4434780 PubMed citation Europe PMC
Last Modified
06 September 2013