Alisol A - 10mM in DMSO , CAS No.19885-10-0

CAS: 19885-10-0 Cat. No.: A422418 Fórmula: C₃₀H₅₀O₅ Peso molecular: 490.71 Número CE: 111-817-8 PubChem CID: 15558616

GRADE & PURITY 10mM in DMSO

Synonyms

s9277 | BDBM50130907 | AlisolA | Alisol-A | 11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one | BS-15882 | Alisol A | DTXSID10941738 | (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(1R,3S,4R)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,7,9,1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Product Introduction

Alisol A is one of the major active triterpenes isolated from Rhizoma Alismatis (RA), a famous Traditional Chinese Medicine widely used for diuretic, hypolipidemic, anti-nephrolithic, anti-atherosclerotic, anti-inflammatory and anti-diabetic purposes.

Specifications

Sinónimos

s9277 | BDBM50130907 | AlisolA | Alisol-A | 11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one | BS-15882 | Alisol A | DTXSID10941738 | (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(1R,3S,4R)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,5,6,7,9,1

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528776345
• Sorrisos canónicos: CC(CC(C(C(C)(C)O)O)O)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1)C)C)(C)C)C)O
• IUPAC Name: (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: HNOSJVWYGXOFRP-UNPOXIGHSA-N
• INCHI: 1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
• SMILES isoméricas: C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
• PubChem CID: 15558616
• Peso molecular: 490.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 3-oxo-5-alpha-steroids 11-beta-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 25-hydroxysteroid - 24-hydroxysteroid - 23-hydroxysteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-oxo-5-alpha-steroid - Steroid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Cyclic ketone - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Alvos associados (humanos)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 90-91° C
• Peso molecular: 490.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 490.366 Da
• Monoisotopic Mass: 490.366 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 904.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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

Referências

1. Yong Jiang, Wenjun Ji, Ying Lu, Qin Wang, Linwei Chen.  (2025)  Integrating Plasma Metabolomics, Network Pharmacology, and Experimental Validation to Investigate the Action Mechanism of Qiangxin Lishui Prescription in Chronic Heart Failure.  BIOMEDICAL CHROMATOGRAPHY,  39  (2): (e6065).  [PMID:39748248] [10.1002/bmc.6065]