Oxalicine A
AlkaPlorer ID: AK055302
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC=C(C)[C@]23OC2=C(C(=O)OC(C4=CC=CN=C4)=C2)[C@@H]3O)[C@@]12CCC(=O)OC2
InChI: InChI=1S/C30H33NO6/c1-17(2)20-9-11-28(4)23(29(20)12-10-24(32)35-16-29)8-7-18(3)30(28)26(33)25-22(37-30)14-21(36-27(25)34)19-6-5-13-31-15-19/h5-7,13-15,20,23,26,33H,1,8-12,16H2,2-4H3/t20-,23-,26-,28+,29+,30+/m0/s1
InChIKey: HYMLFCZXNWRIQS-RZUCXZKQSA-N
Reference
Antiinsectan Decaturin and Oxalicine Analogues from <i>Penicillium </i><i>t</i><i>hiersii</i>
PubChem CID: 21593945
LOTUS: LTS0266545
SuperNatural Ⅲ: SN0138888-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium oxalicum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 503.5950000000003
TPSA？: 98.86
MolLogP？: 5.148400000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | HT-22 | Activity | nan | None | 10.1016/j.bmcl.2020.127307 |
| Mus musculus | HT-22 | IC50 | 5900.0 | nM | 10.1016/j.bmcl.2020.127307 |
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | 98.0 | % | 10.1021/np0496486 |