isobutyryl shikonin
propanoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
Identification
| Name | isobutyryl shikonin |
| CAS Number | 52438-12-7 |
| FDA UNII | Search |
| Molecular Formula | C20 H22 O6 |
| Molecular Weight | 358.39054000 |
| Nikkaji Number | J256.587K |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 561.89 °C. @ 760.00 mm Hg (est) |
| Flash Point | 389.00 °F. TCC ( 198.40 °C. ) (est) |
| logP (o/w) | 3.563 (est) |
| Soluble in | water, 0.4429 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for isobutyryl shikonin usage levels up to | not for fragrance use. |
| Recommendation for isobutyryl shikonin flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
iso
butyrylshikonin
1-(5,8-
dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate
[1-(5,8-
dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl]2-methylpropanoate
propanoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
PubMed:
Effect of l-phenylalanine on PAL activity and production of naphthoquinone pigments in suspension cultures of Arnebia euchroma (Royle) Johnst.
PubMed:
In vitro and in vivo anticancer effects of Lithospermum erythrorhizon extract on B16F10 murine melanoma.
PubMed:
Identification of shikonin and its ester derivatives from the roots of Echium italicum L.
PubMed:
Naturally-occurring shikonin analogues--a class of necroptotic inducers that circumvent cancer drug resistance.
PubMed:
Shikonins attenuate microglial inflammatory responses by inhibition of ERK, Akt, and NF-kappaB: neuroprotective implications.
PubMed:
Human ACAT inhibitory effects of shikonin derivatives from Lithospermum erythrorhizon.
PubMed:
The shikonin derivatives and pyrrolizidine alkaloids in hairy root cultures of Lithospermum canescens (Michx.) Lehm.
PubMed:
Immunomodulatory effect of shikonin derivatives isolated from Lithospermum canescens on cellular and humoral immunity in Balb/c mice.
PubMed:
Shikonin production by p-fluorophenylalanine resistant cells of Lithospermum erythrorhizon.