(-)-8-Oxocanadine
AlkaPlorer ID: AK047027
Synonym: 'Gusanlung B'
IUPAC Name: (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
Structure
SMILES: COC1=CC=C2C[C@H]3C4=CC5=C(C=C4CCN3C(=O)C2=C1OC)OCO5
InChI: InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,8-9,14H,5-7,10H2,1-2H3/t14-/m0/s1
InChIKey: DESORMZUMYIKSG-AWEZNQCLSA-N
Reference
Minor alkaloid from Coscinium fenestratum
PubChem CID: 133161
CAS: 79082-05-6
LOTUS: LTS0188752
SuperNatural Ⅲ: SN0063812-01
NPASS: NPC169387
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pericampylus glaucus | Pericampylus | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.37400000000014
TPSA？: 57.23
MolLogP？: 2.7282
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 3400000.0 | nM | 10.1021/np070479+ |
| None | ADMET | CC50 | 3400000.0 | nM | 10.1021/np070479+ |