7-Hydroxyheptaphylline
AlkaPlorer ID: AK038890
Synonym: '2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde'
IUPAC Name: 2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Structure
SMILES: CC(C)=CCC1=C(O)C(C=O)=CC2=C1NC1=CC(O)=CC=C12
InChI: InChI=1S/C18H17NO3/c1-10(2)3-5-14-17-15(7-11(9-20)18(14)22)13-6-4-12(21)8-16(13)19-17/h3-4,6-9,19,21-22H,5H2,1-2H3
InChIKey: NRWURNOYKGONNZ-UHFFFAOYSA-N
Reference
2,7-dihydroxy-3-formyl-1-(3′-methyl-2′-butenyl)carbazole from Clausena lansium
PubChem CID: 15767846
LOTUS: LTS0050944
COCONUT: CNP0269087
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena excavata | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.338
TPSA？: 73.32
MolLogP？: 4.053500000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 41240.0 | nM | 10.1021/np100654m |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | KB | IC50 | 27900.0 | nM | 10.1021/np100654m |
| Homo sapiens | KB | IC50 | 107100.0 | nM | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | nan | None | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | 14590.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 19600.0 | nM | 10.1021/np3000365 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 64.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/np3000365 |