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Deoxyshikonin

Deoxyshikonin structure

CAS No:
43043-74-9
Formula:
C16H16O4
Chemical Name:
Deoxyshikonin
Synonyms:
1,4-Naphthalenedione,5,8-dihydroxy-2-(4-methyl-3-penten-1-yl)-;1,4-Naphthalenedione,5,8-dihydroxy-2-(4-methyl-3-pentenyl)-;5,8-Dihydroxy-2-(4-methyl-3-penten-1-yl)-1,4-naphthalenedione;Arnebin 7;Deoxyshikonin;Arnebin VII;Shikonin,deoxy-;Deoxyalkannin;Alkannin,deoxy-;NSC 179184;11-Deoxyalkannin;Anhydroalkanin
Categories:
Biochemical Engineering > Plant Extracts

Description

Deoxyshikonin is isolated from Lithospermum erythrorhizon Sieb with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity with tetracycline against S. pneumonia (MIC=17 μg/mL), also shows significantly

Deoxyshikonin is a hydroxy-1,4-naphthoquinone.

Deoxyshikonin Basic Attributes

Molecular Weight：

272.3

Exact Mass：

272.30

NSC Number：

179184

DSSTox ID：

DTXSID80195660

HScode：

2914690090

Characteristics

PSA：

74.6

XLogP3：

4.72

Density：

1.3±0.1 g/cm3

Melting Point：

94-95 °C

Boiling Point：

503.7±50.0 °C at 760 mmHg

Flash Point：

272.5±26.6 °C

Refractive Index：

1.611

Safety Information

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

deoxyshikonin

Computed Properties

Molecular Weight:272.29
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:272.10485899
Monoisotopic Mass:272.10485899
Topological Polar Surface Area:74.6
Heavy Atom Count:20
Complexity:471
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Deoxyshikonin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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