Nicotinyl Alcohol
AlkaPlorer ID: AK032835
Synonym: None
IUPAC Name: pyridin-3-ylmethanol
Structure
SMILES: OCC1=CC=CN=C1
InChI: InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N
Reference
Constituents of the Pollen of Crocus sativus L. and Their Tyrosinase Inhibitory Activity.
PubChem CID: 7510
CAS: 100-55-0
LOTUS: LTS0089246
COCONUT: CNP0208151
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crocus sativus | Crocus | Iridaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 109.128
TPSA？: 33.120000000000005
MolLogP？: 0.5739
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 12.41 | % | 10.6019/CHEMBL4513141 |
| Candida albicans | Candida albicans | Inhibition | 2.84 | % | 10.6019/CHEMBL4513141 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -7.14 | % | 10.6019/CHEMBL4513141 |
| Escherichia coli | Escherichia coli | Inhibition | 0.45 | % | 10.6019/CHEMBL4513141 |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 39810.7 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 9.87 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 11.42 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 35481.3 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 6.16 | % | 10.6019/CHEMBL4513141 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 13.13 | % | 10.6019/CHEMBL4513141 |
| Rattus norvegicus | Rattus norvegicus | Activity | -19.0 | % | 10.1021/jm00193a017 |
| Rattus norvegicus | Rattus norvegicus | Activity | -3.0 | % | 10.1021/jm00193a017 |
| Rattus norvegicus | Rattus norvegicus | Activity | 11.0 | % | 10.1021/jm00193a017 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Hit score | 0.2034 | None | 10.1101/2020.04.21.054387 |
| 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 | 10.46 | % | 10.6019/CHEMBL4513141 |
| None | Unchecked | Ac50 | 2.512 | uM | None |
| None | Unchecked | AC50 | 2511.9 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |