HARMOL
AlkaPlorer ID: AK001448
Synonym: '', 'HARMOL HYDROCHLORIDE DIHYDRATE\n149022-16-2', '7-Hydroxy-1-methyl-β-carboline', 'Harmol', '487-03-6'
IUPAC Name: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
Structure
SMILES: CC1=NC=CC2=C1NC1=CC(O)=CC=C12
InChI: InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
InChIKey: SATMZMMKDDTOSQ-UHFFFAOYSA-N
Reference
PHARMAKOCHEMISCHE UNTERSUCHUNGEN VON DROGEN DER GATTUNG PASSIFLORA
CAS: 487-03-6
LOTUS: LTS0120174
COCONUT: CNP0137378
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fontinalis squamosa | Fontinalis | Fontinalaceae | Hypnales | Bryopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 198.225
TPSA？: 48.91
MolLogP？: 2.7301200000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -8.06 | % | 10.6019/CHEMBL4296182 |
| Alternaria solani | Alternaria solani | Activity | 26.3 | % | 10.1016/j.ejmech.2021.114057 |
| Bipolaris maydis | Bipolaris maydis | Activity | 31.8 | % | 10.1016/j.ejmech.2021.114057 |
| Candida albicans | Candida albicans | Inhibition | 2.57 | % | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -8.88 | % | 10.6019/CHEMBL4296182 |
| Escherichia coli | Escherichia coli | Inhibition | 7.41 | % | 10.6019/CHEMBL4296182 |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | IC50 | 90.0 | nM | 10.1021/acs.jmedchem.8b00185 |
| Homo sapiens | Serine/threonine-protein kinase haspin | IC50 | 770.0 | nM | 10.1016/j.ejmech.2021.113688 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 20.45 | % | 10.6019/CHEMBL4296182 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 15.56 | % | 10.6019/CHEMBL4296182 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 18.39 | % | 10.6019/CHEMBL4296182 |