General Information of the Compound
| Compound ID |
CP0453656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(2,3-Dihydroxy-phenyl)-pentyloxy]-2-hydroxy-3-propyl-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26O6
|
||||||||||||||||||
| Molecular Weight |
374.433
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(O)c(ccc1OCCCCCc1cccc(O)c1O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26O6/c1-2-7-15-18(12-11-16(20(15)24)21(25)26)27-13-5-3-4-8-14-9-6-10-17(22)19(14)23/h6,9-12,22-24H,2-5,7-8,13H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFNZMNFJCNDFPK-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