Notopterol - ≥98% , CAS No.88206-46-6

CAS: 88206-46-6 Cat. No.: N418583 Formule: C₂₁H₂₂O₅ Poids moléculaire: 354.41

GRADE & PURITY ≥98%

Synonyms

CCG-268084 | A862285 | (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one | (E)-4-[(5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one | 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((5-hydroxy-3,7-dimet

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Notopterol is a kind of furanocoumarin that possesses anti-inflammatory, analgesic, and anticancer activities.

Specifications

Synonymes

CCG-268084 | A862285 | (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one | (E)-4-[(5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one | 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((5-hydroxy-3,7-dimet

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528774670
• Sourires canoniques: CC(=CC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O)C
• IUPAC Name: 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
• InChIKey: BKIACVAZUKISOR-MKMNVTDBSA-N
• INCHI: 1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
• Isomères SMILES: CC(=CC(C/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)O)C
• Poids moléculaire: 354.41
• Reaxy-Rn: 32979604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32979604&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Psoralens Aromatic monoterpenoids 1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene lactone - Furanocoumarin - Linear furanocoumarin - Psoralen - Coumarin - Aromatic monoterpenoid - Benzopyran - Monoterpenoid - 1-benzopyran - Benzofuran - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• External Descriptors: furanocoumarin

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

Cibles associées (humaines)

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

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

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 354.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 354.147 Da
• Monoisotopic Mass: 354.147 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 602.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Références

1. Peijun Liu, Weihua Tang, Dong Zhao, Pan Zhou, Ke Hu.  (2023)  Active metabolites and potential mechanisms of Notopterygium incisum against obstructive sleep apnea Syndrome (OSAS): network analysis and experimental assessment.  Frontiers in Pharmacology,      [PMID:37719850] [10.3389/fphar.2023.1185100]