General Information of the Compound
| Compound ID |
CP0004162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(-)-cis-rotenone
Show/Hide
|
||||||||||||||||||
| Synonyms |
(-)-Rotenone
(-)-cis-Rotenone
5'-beta-Rotenone
83-79-4
Barbasco
Canex
Cenol garden dust
Chem fish
Chem-Fish S
Chem-Mite
Cube root
Cube-Pulver
Cubor
Curex flea duster
Dactinol
Deril
Derrin
Derris
Derris (insecticide)
Derris root
Dri-Kil
Gerane
Green Cross Warble Powder
Haiari
Liquid Derris
Mexide
Nicouline
Noxfire
Noxfish
Paraderil
Pb-nox
Powder and root
Prenfish
Prentox
Prentox Synpren-Fish
Pro-nox fish
Ro-Ko
Ronone
Rotefive
Rotefour
Rotenon
Rotenone
Rotenox
Rotenox 5EC
Rotessenol
Rotocide
Synpren
Tubatoxin
rotenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22O6
|
||||||||||||||||||
| Molecular Weight |
394.423
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUVIOZPCNVVQFO-HBGVWJBISA-N
|
||||||||||||||||||
| CAS |
83-79-4
12679-58-2
|
||||||||||||||||||
| 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: PT04542, Bile salt export pump
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound