General Information of the Compound
| Compound ID |
CP0063946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEBI:4778
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,5-Dihydroxy-3-undecyl-1,4-benzoquinone
2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
2,5-Dihydroxy-3-undecyl-p-benzoquinone
2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
550-24-3
AK115155
Apoptosis Activator III, Embelin
BRN 1885786
C17H26O4
CHEBI:4778
EINECS 208-979-8
EMBELIN
Embelic acid
Embelin, Embelia ribes
Emberine
NSC 91874
NSC91874
SHC6U8F5ER
SR-01000597536
SpecPlus_000501
Spectrum_001513
Tocris-2156
UNII-SHC6U8F5ER
XIAP inhibitor, Embelin
p-Benzoquinone, 2,5-dihydroxy-3-undecyl-
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H26O4
|
||||||||||||||||||
| Molecular Weight |
294.391
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
Show/Hide
|
||||||||||||||||||
| 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
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRSFLDGTOHBADP-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
550-24-3
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay
Protein ID: PT06109, Geminin
Protein ID: PT05648, Macrophage-expressed gene 1 protein
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Clinical Information about the Compound