Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Curcuma xanthorrhiza. Alnustone displays anti-emetic and anti-inflammatory activities

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504763576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763576

정식 스마일

C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2

IUPAC Name

(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one

InChIKey

OWMJDOUOHDOUFG-FNCQTZNRSA-N

INCHI

1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+

이성체 SMILES

C1=CC=C(C=C1)CCC(=O)/C=C/C=C/C2=CC=CC=C2

분자량

262.35

Reaxy-Rn

2051959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051959&ln=

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Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 분류 Diarylheptanoids
    - Subclass Linear diarylheptanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
분류	Diarylheptanoids
Subclass	Linear diarylheptanoids
Intermediate Tree Nodes	Not available
Direct Parent	Linear diarylheptanoids
Alternative Parents	Styrenes Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,7-diphenylheptane skeleton - Styrene - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors	Not available
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

3D 구조

관련 대상(인간)

A498 (42825 Activities)

Lot Number	Certificate Type	날짜	항목
F2210143	Certificate of Analysis	Mar 04, 2025	A353787
F2210144	Certificate of Analysis	Mar 04, 2025	A353787
F2210146	Certificate of Analysis	Mar 04, 2025	A353787
F2210147	Certificate of Analysis	Mar 04, 2025	A353787

용해성	DMSO: 47 mg/mL(179.1 mM)，Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.: Soluble
감도	light sensitive
분자량	262.300 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	262.136 Da
Monoisotopic Mass	262.136 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

Alnustone - ≥98% , CAS No.33457-62-4

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