Heptaphylline
AlkaPlorer ID: AK010300
Synonym: None
IUPAC Name: 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Structure
SMILES: CC(C)=CCC1=C(O)C(C=O)=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
InChIKey: ICYHRFZZQCYWNF-UHFFFAOYSA-N
Reference
Alkaloidal and other constituents from the root bark of Clausena excavata
PubChem CID: 5318015
CAS: 17750-35-5
LOTUS: LTS0215094
COCONUT: CNP0306397
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena excavata | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 279.33900000000006
TPSA？: 53.09
MolLogP？: 4.347900000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 92470.0 | nM | 10.1016/j.ejmech.2011.05.041 |
| Chlorocebus sabaeus | Vero | IC50 | 92470.0 | nM | 10.1021/np100654m |
| Chlorocebus sabaeus | Vero | IC50 | nan | None | 10.1016/j.bmc.2016.12.038 |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | Butyrylcholinesterase | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2014.01.020 |
| Homo sapiens | KB | IC50 | 1610.0 | nM | 10.1016/j.ejmech.2011.05.041 |
| Homo sapiens | KB | IC50 | 1610.0 | nM | 10.1021/np100654m |
| Homo sapiens | KB | IC50 | 94200.0 | nM | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | 171000.0 | nM | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | 1320.0 | nM | 10.1016/j.ejmech.2011.05.041 |
| Homo sapiens | NCI-H187 | IC50 | 1320.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 20200.0 | nM | 10.1021/np3000365 |
| Murinae | NG108-15 | Activity | 59.82 | % | 10.1016/j.ejmech.2014.01.020 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 50000.0 | nM | 10.1016/j.bmc.2016.12.038 |
| Rattus norvegicus | C6 | Activity | nan | None | 10.1016/j.ejmech.2014.01.020 |
| 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 |
| None | NON-PROTEIN TARGET | IC50 | 12070.0 | nM | 10.1016/j.ejmech.2014.01.020 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2014.01.020 |