Molecule

Ipecoside

AlkaPlorer ID: AK037206

Synonym: '', 'Ipecoside'

IUPAC Name: methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1C2=CC(O)=C(O)C=C2CCN1C(C)=O

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

Reference

The basic glucosides related to the biosynthesis of indole and ipecac alkaloids

PubChem CID: 442249

CAS: 15401-60-2

LOTUS: LTS0239896

SuperNatural Ⅲ: SN0306532-05

NPASS: NPC252685

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mentha aquatica	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Osteospermum jucundum	Osteospermum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum heterolasium	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clonostachys rosea	Clonostachys	Bionectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Amauroascus aureus	Amauroascus	Onygenaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Carapichea ipecacuanha	Carapichea	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hirsutella nivea	Hirsutella	Ophiocordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Ascochyta caulina	Ascochyta	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Tragopogon porrifolius	Tragopogon	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coryphantha elephantidens	Coryphantha	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces avidinii	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Acodontaster conspicuus	Acodontaster	Odontasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Helichrysum revolutum	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 565.5720000000003

TPSA？: 195.68

MolLogP？: -0.4182999999999999

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi