momordin-Ic - ≥98% , CAS No.96990-18-0

CAS: 96990-18-0 Cat. No.: M414346 Molecular Weight: 764.94

GRADE & PURITY ≥98%

Synonyms

Q-100908 | CCG-270448 | AC-34122 | HY-N0330 | Momordin Ic | Scoparianoside B | AKOS015897153 | DTXSID00914234 | MOMORDINIC | Momordin-Ic | BDBM50591762 | SCHEMBL16556181 | beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-18-en-3-yl 3-O-bet

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

momordin-Ic Momordin Ic, a natural triterpenoid saponin, is a novel SENP1 (SUMO-specific protease 1) inhibitor that inhibited proliferation of prostate cancer cells in vitro and in vivo.

Specifications

Synonyms

Q-100908 | CCG-270448 | AC-34122 | HY-N0330 | Momordin Ic | Scoparianoside B | AKOS015897153 | DTXSID00914234 | MOMORDINIC | Momordin-Ic | BDBM50591762 | SCHEMBL16556181 | beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-18-en-3-yl 3-O-bet

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Momordin Ic, a natural triterpenoid saponin, is a novel SENP1 (SUMO-specific protease 1) inhibitor that inhibited proliferation of prostate cancer cells in vitro and in vivo.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 3.591
• hba_count: 6
• HBD Count: 5
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504757690
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757690
• Canonical Smiles: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C
• IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
• InChIKey: HWYBGIDROCYPOE-WEAQAMGWSA-N
• INCHI: 1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
• Molecular Weight: 764.94
• Reaxy-Rn: 40256128
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40256128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides
        • Level5 Triterpene glycosides
          • Level6 Triterpene saponins

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids O-glucuronides Disaccharides O-glycosyl compounds Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Pyrans Oxanes Secondary alcohols Polyols Acetals Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Oxane - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
• 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

Associated Targets(Human)

SENP1 Tchem Sentrin-specific protease 1 (681 Activities)

Discover Target: SENP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Biomphalaria glabrata (78 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (130.72 mM)
• Sensitivity: Light sensitive
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 130.729368166923
• Molecular Weight: 764.900 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 764.435 Da
• Monoisotopic Mass: 764.435 Da
• Topological Polar Surface Area: 213.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 17
• 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