javanicin, 476-45-9

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CODE150065 CODE150065
Product(s):
476-45-9 5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione

Name:	5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione
CAS Number:	476-45-9	3D/inchi
FDA UNII:	YNR51WFW2R
Nikkaji Web:	J5.976E
Beilstein Number:	2296055
XlogP3-AA:	2.00 (est)
Molecular Weight:	290.27178000
Formula:	C15 H14 O6
BioActivity Summary:	listing
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
Google Books:	Search
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
Melting Point:	208.00 °C. @ 760.00 mm Hg
Boiling Point:	616.50 °C. @ 760.00 mm Hg (est)
Flash Point:	456.00 °F. TCC ( 235.70 °C. ) (est)
logP (o/w):	1.510 (est)
Soluble in:
	water, 222.2 mg/L @ 25 °C (est)

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione

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:
intraperitoneal-mouse LD50 500 mg/kg "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 3, Pg. 217, 1980.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

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

Recommendation for javanicin 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 :10149

National Institute of Allergy and Infectious Diseases:Data

5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione

Chemidplus:0000476459

References:

	5,8-dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	10149
Pubchem (sid):	134973499

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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

found in nature

Synonyms:

3-	acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone
5,8-	dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione
1,4-	naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-
1,4-	naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-

Articles:

PubMed:Bioactive dihydronaphthoquinone derivatives from Fusarium solani.

PubMed:Screening and evaluation of new inhibitors of hepatic glucose production.

PubMed:Javanicin, an antibacterial naphthaquinone from an endophytic fungus of neem, Chloridium sp.

PubMed:[Biosynthesis of naphthoquinone pigments by fungi of the genus Fusarium].

PubMed:Fungal quinone pigments as oxidizers and inhibitors of mitochondrial NADH:ubiquinone reductase.

PubMed:Studies on the constituents of Indonesian Picrasma javanica. III. Structures of new quassinoids, javanicins A, C and D.

PubMed:NAPHTHAQUINONE BIOSYNTHESIS IN MOULDS: THE MECHANISM FOR FORMATION OF JAVANICIN.

PubMed:Production of antibiotics by fungi; javanicin; an antibacterial pigment from Fusarium javanicum.

Notes:

None found

javanicin 1,4-naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-

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Articles:

javanicin
1,4-naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-