Products for Research Use Only
RegisterLogin

Ipecoside

CAT: 0804-HY-N2261-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N2261-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ipecoside is an alkaloid isolated from Psychotria[1].
CAS Number
15401-60-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ipecoside.html
Purity
98.38
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@H](C=C)[C@@H]1C[C@H]3N(C(C)=O)CCC4=C3C=C(O)C(O)=C4)OC
Molecular Formula
C27H35NO12
Molecular Weight
565.57
References & Citations
[1]J Biol Chem. 2008 Dec 12;283 (50) :34650-9. doi: 10.1074/jbc.M806953200. Epub 2008 Oct 16.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl (2S,3R,4S)-4-(((1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

Ipecoside is a member of acetamides, a beta-D-glucoside, an isoquinoline alkaloid, an isoquinolinol, a methyl ester, a terpene glycoside and an olefinic compound. It has a role as a plant metabolite. It is functionally related to an ipecoside aglycone.

CAS Number15401-60-2
PubChem CID442249
IUPAC Namemethyl (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
Molecular FormulaC27H35NO12
Molecular Weight565.6
XLogP-0.3
Topological Polar Surface Area196
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity960
SMILES
CC(=O)N1CCC2=CC(=C(C=C2[C@H]1C[C@H]3[C@H]([C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C)O)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
Chemical Structure
2D Structure
2D structure of Methyl (2S,3R,4S)-4-(((1R)-2-acetyl-1,2,3,4-tetrahydro-6,7-dihydroxy-1-isoquinolinyl)methyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
CAS: 15401-60-2
CID: 442249
Formula: C27H35NO12
MW: 565.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.6
XLogP3-0.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass565.21592555
Monoisotopic Mass565.21592555
Topological Polar Surface Area196 Ų
Heavy Atom Count40
Formal Charge0
Complexity960
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP04576-01Ipecoside

Popular Products