General Information of the Compound
| Compound ID |
CP0730280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID50106081
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,3-Dicarboxy-2,3-dimethyl-1,4-epoxycyclohexane
2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
AC1L1DX2
BMK1-G11
C 8088
CANTHARIDIC_ACID
CCG-204413
CHEMBL275516
CTK7I5696
EU-0100318
HMS3260P18
HSCI1_000263
LP00318
Lopac0_000318
NCGC00015272-02
NCGC00015272-03
NCGC00015272-04
NCGC00093763-01
NCGC00093763-02
NCGC00261003-01
NSC-115503
NSC115503
SCHEMBL943636
SR-01000075783
SR-01000075783-1
Tox21_500318
cantharidic acid
exo-1,6-Dicarboxy-endo-1,6-dimethyl-7-oxabicylco[2,2,1]heptane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H14O5
|
||||||||||||||||||
| Molecular Weight |
214.217
|
||||||||||||||||||
| Canonical SMILES |
CC1(C(=O)O)C2CCC(O2)C1(C)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMTNUQBORQILRK-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
Clinical Information about the Compound