CHEBI:5952 - ipecoside

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ChEBI Name ipecoside
ChEBI ID CHEBI:5952
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H35NO12
Net Charge 0
Average Mass 565.572
Monoisotopic Mass 565.21593
InChI InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m1/s1
InChIKey QISXROCIXKXUPS-OWVLCBNUSA-N
SMILES [H][C@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)N(CCC2=C1C=C(O)C(O)=C2)C(C)=O
Metabolite of Species Details
Carapichea ipecacuanha (NCBI:txid77880) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 ipecoside (CHEBI:5952) has functional parent ipecoside aglycone (CHEBI:195262)
ipecoside (CHEBI:5952) has role plant metabolite (CHEBI:76924)
ipecoside (CHEBI:5952) is a β-D-glucoside (CHEBI:22798)
ipecoside (CHEBI:5952) is a acetamides (CHEBI:22160)
ipecoside (CHEBI:5952) is a isoquinoline alkaloid (CHEBI:24921)
ipecoside (CHEBI:5952) is a isoquinolinol (CHEBI:24923)
ipecoside (CHEBI:5952) is a methyl ester (CHEBI:25248)
ipecoside (CHEBI:5952) is a olefinic compound (CHEBI:78840)
ipecoside (CHEBI:5952) is a terpene glycoside (CHEBI:61777)
IUPAC Name
methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
Synonyms Sources
ipecoside UniProt
methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl]methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate ChEBI
Manual Xrefs Databases
C00001868 KNApSAcK
C09464 KEGG COMPOUND
CPD-26388 MetaCyc
View more database links
Registry Number Type Source
15401-60-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
13229070 PubMed citation Europe PMC
18927081 PubMed citation Europe PMC
20495341 PubMed citation Europe PMC
28403242 PubMed citation Europe PMC
35781851 PubMed citation Europe PMC
38022701 PubMed citation Europe PMC
Last Modified
08 February 2024