General Information of the Compound
| Compound ID |
CP0541978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7}]nonacosa-1(25),2(7),3,5,10,12,15,17,19(27),22(26),23,28-dodecaene-5,24-diol
Show/Hide
|
||||||||||||||||||
| Synonyms |
2',4-(Ethylene-1,4-phenylene-oxy-1,3-phenylene-ethylene)-1,1'-biphenyl-2,4'-diol
4-dehydroxyriccardin C
BDBM23851
CHEMBL411246
Riccardin C derivative, 20d
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H24O3
|
||||||||||||||||||
| Molecular Weight |
408.497
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCEPVFMKRVLFDX-UHFFFAOYSA-N
|
||||||||||||||||||
| 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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta
Clinical Information about the Compound