Stigmasterol glucoside - Moligand™,≥98% , CAS No.19716-26-8

CAS: 19716-26-8 Cat. No.: S649665 분자식: C₃₅H₅₈O₆ 분자량: 574.83 PubChem CID: 6602508

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-N1200 | MS-30354 | stigma-5,22-dien-3-beta-D-glucopyranoside | Stigmasterol glucoside | CHEBI:68383 | Q27136880 | stigmasterol 3-O-beta-D-glucoside | BDBM50357395 | (3beta,22E)-stigmasta-5,22-dien-3-yl beta-D-glucopyranoside | 3-O-beta-D-glucopyranosyl

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Stigmasterol glucoside is a sterol isolated from P. urinaria with high antioxidant and anti-inflammatory activities , act as an inhibitor of 5α-reductase with an IC 50 of 27.2 µM .

Form:Solid

IC50& Target:IC50：27.2 µM (5α-reductase)

Specifications

동의어

HY-N1200 | MS-30354 | stigma-5,22-dien-3-beta-D-glucopyranoside | Stigmasterol glucoside | CHEBI:68383 | Q27136880 | stigmasterol 3-O-beta-D-glucoside | BDBM50357395 | (3beta,22E)-stigmasta-5,22-dien-3-yl beta-D-glucopyranoside | 3-O-beta-D-glucopyranosyl

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

Stigmasterol glucoside is a sterol isolated from P. urinaria with high antioxidant and anti-inflammatory activities, act as an inhibitor of 5α-reductase with an IC 50 of 27.2u2009µM.

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥98%

이름과 식별자

• 정식 스마일: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: VWDLOXMZIGUBKM-AUGXRQBFSA-N
• INCHI: 1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
• 이성체 SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
• 대체 CAS: 19716-26-8
• PubChem CID: 6602508
• 분자량: 574.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Stigmastanes and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Stigmastanes and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Stigmastanes and derivatives
• Alternative Parents: Triterpenoids C24-propyl sterols and derivatives Steroidal glycosides Delta-5-steroids Hexoses O-glycosyl compounds Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: C24-propyl-sterol-skeleton - Triterpenoid - Stigmastane-skeleton - Steroidal glycoside - Delta-5-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Monosaccharide - Secondary alcohol - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.
• External Descriptors: beta-D-glucoside - monosaccharide derivative - steroid saponin - phytosterols

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

관련 대상(인간)

DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

Discover Target: DUSP3

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PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

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관련 대상(비인간)

Cryz Quinone oxidoreductase (288 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: light sensitive；Moisture sensitive
• 분자량: 574.800 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 574.423 Da
• Monoisotopic Mass: 574.423 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 962.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1