Aristolatam Iiia
AlkaPlorer ID: AK135308
Synonym: None
IUPAC Name: 16-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,11,13(18),14,16-hexaen-9-one
Structure
SMILES: O=C1NC2=CC3=C(C=C(O)C=C3)C3=C4OCOC4=CC1C23
InChI: InChI=1S/C16H11NO4/c18-8-2-1-7-3-11-13-10(16(19)17-11)5-12-15(21-6-20-12)14(13)9(7)4-8/h1-5,10,13,18H,6H2,(H,17,19)
InChIKey: XHBZREOTULTNLQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia manshuriensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 281.26699999999994
TPSA？: 67.79
MolLogP？: 1.7217999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Neutrophil | Ratio IC50 | 4.5 | None | 10.1016/j.bmcl.2011.01.067 |
| None | Neutrophil | Ratio IC50 | 35.0 | None | 10.1016/j.bmcl.2011.01.067 |
| None | NON-PROTEIN TARGET | IC50 | 0.12 | ug.mL-1 | 10.1016/j.bmcl.2011.01.067 |
| None | NON-PROTEIN TARGET | IC50 | 0.2 | ug.mL-1 | 10.1016/j.bmcl.2011.01.067 |