Asiaticoside - 10mM in DMSO , CAS No.16830-15-2

CAS: 16830-15-2 Cat. No.: A422081 분자식: C₄₈H₇₈O₁₉ 분자량: 959.12 EC 번호: 240-851-7

GRADE & PURITY 10mM in DMSO

Synonyms

(-)-SENECIONINE | NSC-36002 | (2alpha,3beta,4alpha)-2,3,23-TRIHYDROXYURS-12-EN-28-OIC ACID O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOSYL-(1->6)-O-beta-D-GLUCOPYRANOSYL ESTER | Madecassol | Prost-13-en-1-oic acid, 11,15-dihydroxy-6,9-diox

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Asiaticoside (Madecassol) is the active chemical component of the plant Centella asiatica. Asiaticoside is used to study potential treatments for wounds and burns.
Is used to study potential treatments for wounds and burns

Specifications

동의어

(-)-SENECIONINE | NSC-36002 | (2alpha,3beta,4alpha)-2,3,23-TRIHYDROXYURS-12-EN-28-OIC ACID O-6-DEOXY-alpha-L-MANNOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOSYL-(1->6)-O-beta-D-GLUCOPYRANOSYL ESTER | Madecassol | Prost-13-en-1-oic acid, 11,15-dihydroxy-6,9-diox

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Triterpene glycoside. Stimulates collagen biosynthesis and glycosaminoglycan synthesis. Displays wound-healing activity. Antiaging and anti-infective agent. Active in vivo and in vitro .

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528774456

정식 스마일

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O

IUPAC Name

[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

InChIKey

WYQVAPGDARQUBT-FGWHUCSPSA-N

INCHI

1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1

이성체 SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O

WGK 독일

3

분자량

959.12

Reaxy-Rn

25443182

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25443182&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Triterpene glycosides
• Direct Parent: Triterpene saponins
• Alternative Parents: Triterpenoids Oligosaccharides 12-beta-hydroxysteroids O-glycosyl compounds Oxanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpene saponin - Triterpenoid - Oligosaccharide - 12-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Glycosyl compound - O-glycosyl compound - Oxane - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
• 설명: 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: triterpenoid saponin

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)

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 녹는점(°C): 230-233°C
• 분자량: 959.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 10
• Exact Mass: 958.514 Da
• Monoisotopic Mass: 958.514 Da
• Topological Polar Surface Area: 315.000 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 1820.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 27
• 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