Compound Summary
Compound Information
cantharidin
Compound Name: | cantharidin |
Compound CID: | 5944 |
Synonyms: | cantharidin 56-25-7 Cantharone CANTHARIDINE Kantaridin More... |
Iupac Name: | (1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione |
InChI: | InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10- |
InChIKey: | DHZBEENLJMYSHQ-XCVPVQRUSA-N |
Canonical Smiles: | CC12C3CCC(C1(C(=O)OC2=O)C)O3 |
Isomeric Smiles: | C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3 |
Molecular Weight: | 196.2 |
Molecular Formula: | C10H12O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
cantharidin
Molecular Weight: | 196.2 |
Molecular Formula: | C10H12O4 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 14 |
Complexity: | 318 |
Synonyms
cantharidin
| cantharidin | cantharidin |
|---|---|
cantharidin |
56-25-7 |
Cantharone |
CANTHARIDINE |
Kantaridin |
Kantharidin |
Cantharides camphor |
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride |
UNII-IGL471WQ8P |
NSC61805 |
exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride |
BRN 0085302 |
AI3-04021 |
(3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione |
IGL471WQ8P |
CHEMBL48449 |
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel- |
CHEBI:64213 |
7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran |
CAN Alkaloid |
Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione |
MFCD00134968 |
NSC-61805 |
Cantharidin (USAN) |
Cantharidin USAN |
3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione |
NSC 61805 |
Kantharidin German |
Caswell No. 157 |
(3a?,4?,7?,7a?)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione |
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel- |
CCRIS 635 |
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl- |
2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride |
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl- |
HSDB 2181 |
EINECS 200-263-3 |
EPA Pesticide Chemical Code 013101 |
CAS-56-25-7 |
NCGC00016247-01 |
Prestwick3_000885 |
(1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride |
2,3-dicarboxylic anhydride |
Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione |
NCIMech_000301 |
BSPBio_000670 |
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha) |
5-19-05-00051 (Beilstein Handbook Reference) |
SCHEMBL152262 |
BPBio1_000738 |
Cantharides camphor, Cantharone |
cid_6708701 |
HMS2097B12 |
HMS3412J13 |
HMS3676J13 |
1,6-epoxyperhydrophthalic anhydride |
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- |
ACT03236 |
AMY33451 |
BCP09819 |
HY-N0209 |
BDBM50090505 |
CCG-35382 |
CCG-36082 |
WHO 11470 |
ZINC17611186 |
AKOS015895930 |
AC-7967 |
CS-4979 |
DB12328 |
4,3-dione, hexahydro-3a,7a-dimethyl- |
exo-1,6-epoxyhexahydrophthalic anhydride |
NCGC00025212-02 |
NCGC00025212-03 |
NCGC00025212-04 |
NCGC00025212-05 |
NCGC00025212-31 |
AS-18735 |
NCI60_005413 |
WLN: T C555 A AO DVOVTJ C1 G1 |
AB00513946 |
Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione |
X1105 |
D11745 |
7-Oxabicyclo2.2.1heptane-2, 2,3-dimethyl- |
134C968 |
Q410884 |
SR-01000597585 |
SR-01000597585-1 |
BRD-K80684056-001-01-0 |
(3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione |
(1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.0*2,6*decane-3,5-dione |
(1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.0*2,6*decane-3,5-dione |
(1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo5.2.1.0*2,6*decane-3,5-dione |
(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo5.2.1.02,6decane-3,5-dione |
(1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo5.2.1.0-2,6decane-3,5-dione |
4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- |
Cantharidin:4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a- dimethyl-, (3a,4,7,7a)-, |
Experimental Data
cantharidin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50 | umol/L | -10.61 | NS | N2 | 30970250 | Inactive | ||||||
| Spodoptera litura | 0.002 | mg/g | 36.64 | 29.75 | -0.19 | NS | 30169799 | Inactive | |||||
| Caenorhabditis elegans | 33 | umol/L | -40 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
cantharidin
Statistics Data
cantharidin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -10.61 | 2 | 2 | |
| Spodoptera litura | -0.19 | 1 | 1 |
Statistics Data Visualization
cantharidin
