16-methoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2,4(8),9,15(20),16,18-hexaen-17-yl acetate
AlkaPlorer ID: AK158316
Synonym: None
IUPAC Name: (16-methoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-yl) acetate
Structure
SMILES: COC1=C(OC(C)=O)C=CC2=C1C(=O)N1CCC3=CC4=C(C=C3C1C2)OCO4
InChI: InChI=1S/C21H19NO6/c1-11(23)28-16-4-3-13-7-15-14-9-18-17(26-10-27-18)8-12(14)5-6-22(15)21(24)19(13)20(16)25-2/h3-4,8-9,15H,5-7,10H2,1-2H3
InChIKey: DMUHZKPEYXYPKA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrastis canadensis | Hydrastis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.3840000000001
TPSA？: 74.30000000000001
MolLogP？: 2.6449000000000007
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np9701889 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Activity | nan | None | 10.1021/np9701889 |
| Mycobacterium intracellulare | Mycobacterium intracellulare | MIC | 50.0 | ug.mL-1 | 10.1021/np9701889 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1021/np9701889 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | Activity | nan | None | 10.1021/np9701889 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np9701889 |