Momordicoside A - ≥98% , CAS No.75801-95-5

CAS: 75801-95-5 Cat. No.: M646386 Molecular Weight: 817.01 PubChem CID: 71717038

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Momordicoside A is isolated from Momordica charantia L. Momordicoside A has the inhibitory effect on protein tyrosine phosphatase (PTP1B)

Form:Solid

IC50& Target:Protein tyrosine phosphatase

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Momordicoside A is isolated from Momordica charantia L. Momordicoside A has the inhibitory effect on protein tyrosine phosphatase (PTP1B).

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(C(C(C(C)(C)O)O)O)O
• IUPAC Name: (3R,4R,5S,6S)-2-methyl-6-[(3S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
• InChIKey: WBYJYPOPDKQBQJ-WVMSUIAMSA-N
• INCHI: 1S/C42H72O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-37,43-53H,10-18H2,1-8H3/t19-,20+,22+,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,40-,41+,42-/m0/s1
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O
• PubChem CID: 71717038
• Molecular Weight: 817.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroidal glycosides
        • Level5 Steroidal saponins
          • Level6 Cucurbitacin glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpenoids Cucurbitacins Hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids O-glycosyl compounds Disaccharides Oxanes Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 24-hydroxysteroid - 23-hydroxysteroid - 22-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - Delta-5-steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Tertiary alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (122.40 mM; Need ultrasonic)
• Molecular Weight: 817.000 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 816.487 Da
• Monoisotopic Mass: 816.487 Da
• Topological Polar Surface Area: 259.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 21
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1