Clausenawalline B
AlkaPlorer ID: AK144093
Synonym: None
IUPAC Name: 2,6-dihydroxy-5-(2-hydroxy-9H-carbazol-3-yl)-7-methoxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Structure
SMILES: COC1=CC2=C(C(C3=CC4=C(C=C3O)NC3=CC=CC=C34)=C1O)C1=CC(C=O)=C(O)C(CC=C(C)C)=C1N2
InChI: InChI=1S/C31H26N2O5/c1-15(2)8-9-18-29-21(10-16(14-34)30(18)36)27-24(33-29)13-26(38-3)31(37)28(27)20-11-19-17-6-4-5-7-22(17)32-23(19)12-25(20)35/h4-8,10-14,32-33,35-37H,9H2,1-3H3
InChIKey: VLOVIIQGYCTHED-UHFFFAOYSA-N
Reference
Clausenawallines A and B, two new dimeric carbazole alkaloids from the roots of Clausena wallichii
PubChem CID: 60165158
LOTUS: LTS0161603
COCONUT: CNP0185664
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena wallichii | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 506.55800000000033
TPSA？: 118.57000000000002
MolLogP？: 7.069200000000007
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 6
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 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/np3000365 |