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Embelin

CAT: 0957-S7025-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S7025-02Size:50 mg
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Description
Embelin (Embelic Acid, NSC 91874), a quinone isolated from the Japanese Ardisia herb, is an inhibitor of X-linked inhibitor of apoptosis (XIAP) with IC50 of 4.1 μM in a cell-free assay.
CAS Number
550-24-3
Synonyms
Embelic Acid, NSC 91874
Target
IAP
Activity
Apoptosis
Molecular Formula
C17H26O4
Storage Conditions
2 years -80 in solvent

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
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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

Alternative Products

CatalogName
T6485-01Embelin

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