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Embelin

CAT: 0931-T6485-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6485-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
550-24-3
Target
Prostaglandin Receptor, Lipoxygenase, Autophagy, Apoptosis, NF-κB, IAP
Related Pathways
Metabolism, Autophagy, GPCR/G Protein, NF-κB, Apoptosis, Immunology/Inflammation
Purity
0.9988
Bioactivity
Embelin (Embelic acid), isolated from the Japanese Ardisia herb, is an inhibitor of the X-linked inhibitor of apoptosis (IC50: 4.1 uM) .
Smiles
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
Molecular Formula
C17H26O4
Molecular Weight
294.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Embelin

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 an antimicrobial agent, an antineoplastic agent, a hepatitis C protease inhibitor and a plant metabolite.

CAS Number550-24-3
PubChem CID3218
IUPAC Name2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC17H26O4
Molecular Weight294.4
XLogP5.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity432
SMILES
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
InChI
InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey
IRSFLDGTOHBADP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Embelin
CAS: 550-24-3
CID: 3218
Formula: C17H26O4
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass294.18310931
Monoisotopic Mass294.18310931
Topological Polar Surface Area74.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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