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.

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10mM in DMSO

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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.

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작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528766731

정식 스마일

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

이성체 SMILES

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

분자량

278.39

Reaxy-Rn

1984119

Reaxys-RN_link_address

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

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Phenols
    - Subclass Methoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
분류	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
설명	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
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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리뷰

📚 응용 분야별 인용

Extraction & workup solvent1

Organic synthesis — reaction medium1

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분자량	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 Å²
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

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

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