Paradol - 10mM in DMSO , CAS No.27113-22-0

CAS: 27113-22-0 Cat. No.: P422953 Summenformel: C₁₇H₂₆O₃ Molekulargewicht: 278.39 EG-Nummer: 248-228-1

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Q3363309 | HY-14617 | FT-0775579 | HYDROXYMETHOXYPHENYL DECANONE | 6-Paradol | CCG-267231 | 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone # | AKOS028111088 | KBioGR_001041 | EX-A6738 | FEMA NO. 4665 | HYDROXYMETHOXYPHENYL DECANONE [INCI] | KBioGR_001458 | MFCD

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Paradol(6-Paradol) is the active flavor constituent of the seeds of Guinea pepper (Aframomum melegueta); Paradol has been found to have antioxidative and antitumor promoting effects.

Spezifikationen

Synonyme

Q3363309 | HY-14617 | FT-0775579 | HYDROXYMETHOXYPHENYL DECANONE | 6-Paradol | CCG-267231 | 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone # | AKOS028111088 | KBioGR_001041 | EX-A6738 | FEMA NO. 4665 | HYDROXYMETHOXYPHENYL DECANONE [INCI] | KBioGR_001458 | MFCD

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Paradol is the active flavor constituent of the seeds of Guinea pepper (Aframomum melegueta). The seed is also known as Grains of paradise. Paradol has been found to have antioxidative and antitumor promoting effects. From Wikipedia.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528766731

Kanonisches Lächeln

CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC

IUPAC Name

1-(4-hydroxy-3-methoxyphenyl)decan-3-one

InChIKey

CZNLTCTYLMYLHL-UHFFFAOYSA-N

INCHI

1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3

Isomere SMILES

CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC

Molekulargewicht

278.39

Reaxy-Rn

1984119

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1984119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Paradols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Paradol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as paradols. These are compounds containing a paradol moiety, which is consists of a benzene ring with a decan-3-one moiety, a methoxyl group, and a hydroxyl group at positions 1,3, and 4 respectively.
• External Descriptors: Zingiber derived compounds

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

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CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

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HT-29 (80576 Activities)

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NCI-H1299 (3248 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 278.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 278.188 Da
• Monoisotopic Mass: 278.188 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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