Aristoloxazine_A
AlkaPlorer ID: AK000578
Synonym: None
IUPAC Name: 2-[[(8S)-6,15,16-trimethoxy-12-oxo-11-oxa-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,13,15-heptaen-8-yl]sulfanyl]acetamide
Structure
SMILES: COC1=CC2=C3C(=NOC2=O)[C@@H](SCC(N)=O)C2=C(OC)C=CC=C2C3=C1OC
InChI: InChI=1S/C20H18N2O6S/c1-25-11-6-4-5-9-14(11)19(29-8-13(21)23)17-15-10(20(24)28-22-17)7-12(26-2)18(27-3)16(9)15/h4-7,19H,8H2,1-3H3,(H2,21,23)/t19-/m0/s1
InChIKey: QJKBEBMIXVPUGJ-IBGZPJMESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 414.4390000000002
TPSA？: 113.88000000000002
MolLogP？: 2.5021000000000004
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 25.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |
| Candida albicans | Candida albicans | MIC | 25.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.7b00226 |
| Proteus mirabilis | Proteus mirabilis | Activity | nan | None | 10.1021/acs.jnatprod.7b00226 |
| Salmonella enterica subsp. enterica serovar Typhi | Salmonella typhi | Activity | nan | None | 10.1021/acs.jnatprod.7b00226 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.25 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.5 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |
| Trichophyton rubrum | Trichophyton rubrum | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00226 |