8-hydroxycantharimide
AlkaPlorer ID: AK159703
Synonym: None
IUPAC Name: (3aR,4R,7S,7aR)-3a-(hydroxymethyl)-7a-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Structure
SMILES: C[C@@]12C(O)=NC(=O)[C@]1(CO)[C@H]1CC[C@@H]2O1
InChI: InChI=1S/C10H13NO4/c1-9-5-2-3-6(15-5)10(9,4-12)8(14)11-7(9)13/h5-6,12H,2-4H2,1H3,(H,11,13,14)/t5-,6+,9+,10-/m0/s1
InChIKey: YFPSPJLMOAVHRT-ZRVLKLQWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mylabris phalerata | Mylabris | Meloidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 211.217
TPSA？: 79.12
MolLogP？: 0.0292999999999996
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b00332 |