Pachystaudine
AlkaPlorer ID: AK036954
Synonym: None
IUPAC Name: (9R,12S,13S)-13-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-9-ol
Structure
SMILES: CO[C@H]1C2=CC=CC=C2C2=C3OCOC3=CC3=C2[C@@H]1N(C)C[C@@H]3O
InChI: InChI=1S/C19H19NO4/c1-20-8-13(21)12-7-14-19(24-9-23-14)16-10-5-3-4-6-11(10)18(22-2)17(20)15(12)16/h3-7,13,17-18,21H,8-9H2,1-2H3/t13-,17-,18-/m0/s1
InChIKey: VRWZVPYPKSHTEU-KKXDTOCCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia staudtii | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.36400000000003
TPSA？: 51.16
MolLogP？: 2.803300000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 68000.0 | nM | 10.1021/np970382v |
| Chlorocebus sabaeus | Vero | MTC | 62.0 | uM | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | Activity | 0.0 | None | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | Activity | 0.5 | None | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | ED50 | 31.0 | uM | 10.1021/np970382v |
| None | Unchecked | Ratio | 2.2 | None | 10.1021/np970382v |