shikalkin, 54952-43-1

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CODE168115 CODE168115
Product(s):
54952-43-1 Shikonin >98%
Shikonin belongs naphthoquinone isolated from Arnebia sp. It is used as an anti-inflammatory treatment in traditional chinese medicine (TCM). It inhibits chemokine receptor function and suppresses HIV-1.

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CODE168115 CODE168115
Product(s):
GL5964 Shikonin

CAS Number:	54952-43-1	3D/inchi
Other(deleted CASRN):	11019-15-1
FDA UNII:	Search
Nikkaji Web:	J20.957K
MDL:	MFCD00016668
XlogP3-AA:	3.00 (est)
Molecular Weight:	288.29952000
Formula:	C16 H16 O5
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
Boiling Point:	567.40 °C. @ 760.00 mm Hg (est)
Flash Point:	592.00 °F. TCC ( 311.00 °C. ) (est)
logP (o/w):	4.350 (est)
Soluble in:
	water, 160.9 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.

Shikonin >98%

Odor: characteristic

Use: Shikonin belongs naphthoquinone isolated from Arnebia sp. It is used as an anti-inflammatory treatment in traditional chinese medicine (TCM). It inhibits chemokine receptor function and suppresses HIV-1.

Glentham Life Sciences

Shikonin

Nacalai USA

For experimental / research use only.

Shikalkin

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 shikalkin usage levels up to:
	not for fragrance use.

Recommendation for shikalkin 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 :5208

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione

Chemidplus:0054952431

References:

	5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	5208
Pubchem (sid):	134995881

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

gromwell purple gromwell
Search Trop Picture

Synonyms:

(+-)-	alkannin
5,8-	dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone
5,8-	dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone
5,8-	dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-naphthoquinone
5,8-	dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione
5,8-	dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
1,4-	naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-
(+-)-	shikonin

Articles:

PubMed:Detailed investigations on the solid cell culture and antimicrobial activities of the Iranian Arnebia euchroma.

PubMed:Ti-catalyzed Barbier-type allylations and related reactions.

PubMed:Larvicidal activity of naturally occurring naphthoquinones and derivatives against the West Nile virus vector Culex pipiens.

PubMed:A new efficient route for multigram asymmetric synthesis of alkannin and shikonin.

Notes:

a naphthazarin; has antineoplastic and angiogenesis inhibiting activities.

shikalkin 1,4-naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-

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Articles:

shikalkin
1,4-naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-