Picrasidine O
AlkaPlorer ID: AK007023
Synonym: 'MLS000575003', '', 'SMR001215945', 'Picrasidine O'
IUPAC Name: 4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione
Structure
SMILES: COC1=C2C3=C(C=CN2C)C2=CC=CC=C2N3C(=O)C1=O
InChI: InChI=1S/C16H12N2O3/c1-17-8-7-10-9-5-3-4-6-11(9)18-12(10)13(17)15(21-2)14(19)16(18)20/h3-8H,1-2H3
InChIKey: HPAUUBGCMSMJQK-UHFFFAOYSA-N
Reference
PubChem CID: 5320558
CAS: 101219-63-0
LOTUS: LTS0068572
SuperNatural Ⅲ: SN0131603
COCONUT: CNP0214295
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picrasma quassioides | Picrasma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 280.283
TPSA？: 52.71
MolLogP？: 1.7025999999999992
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 11220.2 | nM | None |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 76.6 | % | 10.1016/j.bmcl.2015.03.014 |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 100000.0 | nM | None |
| Meriones unguiculatus | Meriones unguiculatus | Activity | 73.1 | % | 10.1016/j.bmcl.2016.09.006 |
| Meriones unguiculatus | Meriones unguiculatus | Activity | 80.0 | % | 10.1016/j.bmcl.2016.09.006 |
| Meriones unguiculatus | Meriones unguiculatus | Activity | nan | None | 10.1016/j.bmcl.2016.09.006 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmcl.2016.09.006 |
| None | Unchecked | Potency | 14581.0 | nM | None |