General Information of the Compound
| Compound ID |
CP0168430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26O3
|
||||||||||||||||||
| Molecular Weight |
362.469
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(\C=C\C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKXWKCWUBFDHSQ-KPKJPENVSA-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: PT02999, Cytochrome P450 26A1
Protein ID: PT06165, Cytochrome P450 26B1