cantharimide
AlkaPlorer ID: AK159699
Synonym: None
IUPAC Name: (3aS,4R,7S,7aR)-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Structure
SMILES: C[C@@]12C(O)=NC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1
InChI: InChI=1S/C10H13NO3/c1-9-5-3-4-6(14-5)10(9,2)8(13)11-7(9)12/h5-6H,3-4H2,1-2H3,(H,11,12,13)/t5-,6+,9+,10-
InChIKey: PHOUKBDDOYWEMY-XCVPVQRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mylabris phalerata | Mylabris | Meloidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 195.218
TPSA？: 58.89
MolLogP？: 1.0569
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | CC50 | 280000.0 | nM | 10.1021/acs.jnatprod.6b00332 |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b00332 |
| None | NON-PROTEIN TARGET | IC50 | 42000.0 | nM | 10.1021/acs.jnatprod.6b00332 |
| None | NON-PROTEIN TARGET | IC50 | 260000.0 | nM | 10.1021/acs.jnatprod.6b00332 |
| None | Unchecked | Ratio CC50/IC50 | 6.7 | None | 10.1021/acs.jnatprod.6b00332 |