Eupolyphagine
AlkaPlorer ID: AK068194
Synonym: None
IUPAC Name: 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione
Structure
SMILES: O=C1NC2=CC=CC=C2C2=NC3=CC=CC=C3C(=O)N2C2=C1C=CC=C2O
InChI: InChI=1S/C21H13N3O3/c25-17-11-5-8-14-18(17)24-19(12-6-1-3-9-15(12)23-20(14)26)22-16-10-4-2-7-13(16)21(24)27/h1-11,25H,(H,23,26)
InChIKey: NUBAAWQBTGSVGH-UHFFFAOYSA-N
Reference
α-Glucosidase and Protein Tyrosine Phosphatase 1B Inhibitors from <i>Malbranchea circinata</i>
PubChem CID: 135765825
NPASS: NPC268468
COCONUT: CNP0395739
{NPAtlas: NPA029586
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Eupolyphaga sinensis | Eupolyphaga | Corydiidae | Blattodea | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 355.35300000000007
TPSA？: 84.22
MolLogP？: 3.324000000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | nan | % | 10.1021/acs.jnatprod.9b01108 |
| None | Unchecked | IC50 | 116800.0 | nM | 10.1021/acs.jnatprod.9b01108 |