Kirenol - ≥98% , CAS No.52659-56-0

CAS: 52659-56-0 Cat. No.: K404614 Formula: C₂₀H₃₄O₄ Peso molecolare: 338.49

GRADE & PURITY ≥98%

Synonyms

CCG-267903 | SCHEMBL19051009 | Kirenol | A870938 | (R)-1-((2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)ethane-1,2-diol | AS-55945 | s9297 | Kirel | (1R)-1-[(2S,4aR,4bS,6S,8R,8a

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

Kirenol is a biologically active substance isolated from Herba Siegesbeckiae. It has been reported to possess anti-oxidant, anti-inflammatory, anti-allergic, anti-adipogenic, and anti-arthritic activities.

Specifications

Sinonimi

CCG-267903 | SCHEMBL19051009 | Kirenol | A870938 | (R)-1-((2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)ethane-1,2-diol | AS-55945 | s9297 | Kirel | (1R)-1-[(2S,4aR,4bS,6S,8R,8a

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504767942
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767942
• Sorrisi canonici: CC1(CCC2C(=C1)CCC3C2(CC(CC3(C)CO)O)C)C(CO)O
• IUPAC Name: (1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
• InChIKey: NRYNTARIOIRWAB-JPDRSCFKSA-N
• INCHI: 1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
• Isomeri SMILES: C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(C[C@@H](C[C@@]3(C)CO)O)C)[C@H](CO)O
• RTECS: SF7352310
• Peso molecolare: 338.49
• Reaxy-Rn: 41341735
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41341735&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Hydrophenanthrenes Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pimarane diterpenoid - Diterpenoid - Abietane diterpenoid - Phenanthrene - Hydrophenanthrene - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four 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

Obiettivi associati (umani)

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

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HeLa (62764 Activities)

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Obiettivi associati (non umani)

B16 (5829 Activities)

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RAW264.7 (28094 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat Sensitive；Light sensitive
• Rotazione specifica [α]: -30° (C=0.5,Pyridine)
• Punto di fusione (°C): 199 °C
• Peso molecolare: 338.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 338.246 Da
• Monoisotopic Mass: 338.246 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 518.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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