General Information of the Compound
| Compound ID |
CP0049976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
Capsaicin
Capsaicin (transdermal patch formulation, neuropathic pain)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27NO3
|
||||||||||||||||||
| Molecular Weight |
305.418
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKPUWZUDDOIDPM-SOFGYWHQSA-N
|
||||||||||||||||||
| CAS |
404-86-4
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Clinical Information about the Compound