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yakuchinone-A
3-heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-

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Name:	1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
CAS Number:	78954-23-1	3D/inchi
FDA UNII:	2X58Y9JC7L
Nikkaji Web:	J576.152B
XlogP3:	3.60 (est)
Molecular Weight:	312.40888000
Formula:	C20 H24 O3
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
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Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	495.80 °C. @ 760.00 mm Hg (est)
Flash Point:	346.00 °F. TCC ( 174.30 °C. ) (est)
logP (o/w):	3.720 (est)
Soluble in:
	water, 1.521 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for yakuchinone-A usage levels up to:
	not for fragrance use.

Recommendation for yakuchinone-A flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :133145

National Institute of Allergy and Infectious Diseases:Data

1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one

Chemidplus:0078954231

References:

	1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	133145
Pubchem (sid):	135088203

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
KEGG (GenomeNet):	C20211
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

alpinia oxyphylla fruit
Search Trop Picture

Synonyms:

3-	heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
1-(4-	hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
1-(4'-	hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
	yakuchinone A

Articles:

PubMed:Identification of known chemicals and their metabolites from Alpinia oxyphylla fruit extract in rat plasma using liquid chromatography/tandem mass spectrometry (LC-MS/MS) with selected reaction monitoring.

PubMed:Different accumulation profiles of multiple components between pericarp and seed of Alpinia oxyphylla capsular fruit as determined by UFLC-MS/MS.

PubMed:Validated method to measure yakuchinone A in plasma by LC-MS/MS and its application to a pharmacokinetic study in rats.

PubMed:Antioxidant, anti-adipocyte differentiation, antitumor activity and anthelmintic activities against Anisakis simplex and Hymenolepis nana of yakuchinone A from Alpinia oxyphylla.

PubMed:Quantitative analysis of the major constituents in Chinese medicinal preparation SuoQuan formulae by ultra fast high performance liquid chromatography/quadrupole tandem mass spectrometry.

PubMed:Two new antioxidant diarylheptanoids from the fruits of Alpinia oxyphylla.

PubMed:Anti-diarrheal constituents of Alpinia oxyphylla.

PubMed:Two new natural products from the fruits of Alpinia oxyphylla with inhibitory effects on nitric oxide production in lipopolysaccharide-activated RAW264.7 macrophage cells.

PubMed:[Studies on chemical constituents in fruit of Alpinia oxyphylla].

PubMed:Inhibition of mouse skin tumor promotion by anti-inflammatory diarylheptanoids derived from Alpinia oxyphylla Miquel (Zingiberaceae).

PubMed:Effects of yakuchinone A and yakuchinone B on the phorbol ester-induced expression of COX-2 and iNOS and activation of NF-kappaB in mouse skin.

PubMed:Insecticidal diarylheptanoid from Alpinia oxyphylla against larvae of Drosophila melanogaster.

PubMed:Molecular mechanisms of chemopreventive effects of selected dietary and medicinal phenolic substances.

PubMed:Anti-tumor promoting potential of naturally occurring diarylheptanoids structurally related to curcumin.

PubMed:Tyrosinase inhibitors from crude drugs.

PubMed:Inhibition of prostaglandin and leukotriene biosynthesis by gingerols and diarylheptanoids.

PubMed:Suppression of spontaneous calcium spikes and contraction in isolated portal veins of mice by gingerols and chemically related compounds.

PubMed:Inhibition of 5-hydroxy-eicosatetraenoic acid (5-HETE) formation in intact human neutrophils by naturally-occurring diarylheptanoids: inhibitory activities of curcuminoids and yakuchinones.

PubMed:Isolation of a cardiotonic principle from Alpinia oxyphylla.

Notes:

from alpinia oxyphylla.

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