Methylprotodioscin - 10mM in DMSO , CAS No.54522-52-0

CAS: 54522-52-0 Cat. No.: M424646 분자식: C₅₂H₈₆O₂₂ 분자량: 1063.23

GRADE & PURITY 10mM in DMSO

Synonyms

UNII-1VJB6VV6IA | EX-A3795 | beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))- | CHEBI:81110 | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,2

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Product Describtion:

Methyl protodioscin, a bioactive natural compound isolated from Dioscorea collettii Makino (Dioscoreaceae), has numerous pharmacological activities, including anti-inflammation, lipid-lowering, and anticancer activities.

Specifications

동의어

UNII-1VJB6VV6IA | EX-A3795 | beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))- | CHEBI:81110 | .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,2

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Methyl protodioscin is a saponin isolated from medical plant Dioscoreaceae that exhibit anticancer properties. It appears that Methyl protodioscin inhibits proliferation and promoted apoptosis of pancreatic cancer through suppression of glycolysis. Methyl

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

정식 스마일

CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC

IUPAC Name

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

InChIKey

HSSJYSJXBOCKQM-GVTGEURHSA-N

INCHI

1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1

이성체 SMILES

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC

분자량

1063.23

Reaxy-Rn

42293029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42293029&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroidal saponins
• Alternative Parents: Furostanes and derivatives Diterpene glycosides Oligosaccharides Delta-5-steroids Diterpenoids Alkyl glycosides O-glycosyl compounds Ketals Oxanes Tetrahydrofurans Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroidal saponin - Diterpene glycoside - Furostane-skeleton - Oligosaccharide - Diterpenoid - Delta-5-steroid - Terpene glycoside - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Ketal - Fatty acyl - Oxane - Tetrahydrofuran - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
• External Descriptors: furostan

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)

HL-60 (67320 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: light sensitive
• 녹는점(°C): 169-171° C
• 분자량: 1063.200 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 15
• Exact Mass: 1062.56 Da
• Monoisotopic Mass: 1062.56 Da
• Topological Polar Surface Area: 335.000 Ų
• Heavy Atom Count: 74
• Formal Charge: 0
• Complexity: 1920.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 31
• 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