Clausenawalline C
AlkaPlorer ID: AK000270
Synonym: None
IUPAC Name: 6,6,17,17,20-pentamethyl-7,18-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,20-octaene
Structure
SMILES: CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C5=C(C=C4)OC(C=C5)(C)C
InChI: InChI=1S/C23H23NO2/c1-13-12-16-19-14-8-10-22(2,3)25-18(14)7-6-17(19)24-20(16)15-9-11-23(4,5)26-21(13)15/h6-12,24H,1-5H3
InChIKey: XXJKHGCPQSVPCM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena wallichii | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.4420000000001
TPSA？: 34.25
MolLogP？: 5.997920000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | KB | IC50 | nan | None | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | nan | None | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | nan | None | 10.1021/np3000365 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np3000365 |