MW: 294.39
CAS: 550-24-3
MDL: MFCD00016369
TNP: TNP00137
2,5-dihydroxy-3-undecyl-p-benzoquinon; 4-dione,2,5-dihydroxy-3-undecyl-5-cyclohexadiene-1; embelicacid; emberine; APOPTOSIS ACTIVATOR III; EMBELIN; 2,5-DIHYDROXY-3-UNDECYL-1,4-BENZOQUINONE; 2,5-DIHYDROXY-3-UNDECYL-2,5-CYCLOHEXADIENE-1,4-DIONE
LogP: 4.69
LogS: -5.19
Acceptors: 4
Donors: 2
Rotation Bonds: 12
Chiral Centers: 0
N+O: 4
LIPINSKY: 4
IUPAC: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Smiles: C1(=C(C(C=C(C1=O)O)=O)O)CCCCCCCCCCC
Specification: Anthraquinones, Hydroquinones and Quinones; Caspases/Apoptosis EMBELIN Chemical Properties:
mp 142-143C storage temp. Store at +4C solubility DMSO: >10 mg/mL form solid Safety Information WGK Germany 3 RTECS DK4230000 EMBELIN Usage And Synthesis Biological ActivityCell-permeable, non-peptide inhibitor of X-linked inhibitor of apoptosis (XIAP) (IC 50 = 4.1
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