550-24-3
Product Name:
EMBELIN
Formula:
C17H26O4
Synonyms:
2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione;Apoptosis Activator III, Embelin - CAS 550-24-3 - Calbiochem;Embelic acid;Embelin, Embelia ribes, XIAP inhibitor, Embelin, 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone;Emberine
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 294.4 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 294.18310931 g/mol |
| Monoisotopic Mass | 294.18310931 g/mol |
| Topological Polar Surface Area | 74.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Embelin is a member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. It has a role as a hepatitis C protease inhibitor, an antimicrobial agent, an antineoplastic agent and a plant metabolite.