1-Hexanol
| Internal ID | 2b81b28c-6093-4823-a267-4b9a9143d55e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | hexan-1-ol |
| SMILES (Canonical) | CCCCCCO |
| SMILES (Isomeric) | CCCCCCO |
| InChI | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChI Key | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| Popularity | 7,305 references in papers |
| Molecular Formula | C6H14O |
| Molecular Weight | 102.17 g/mol |
| Exact Mass | 102.104465066 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 2.00 |
| Hexan-1-ol |
| Hexyl alcohol |
| 111-27-3 |
| HEXANOL |
| n-Hexanol |
| n-Hexyl alcohol |
| Amylcarbinol |
| 1-Hydroxyhexane |
| 1-Hexyl alcohol |
| Caproyl alcohol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
2.5 nM 354.8 nM |
Potency Potency |
via Super-PRED
via Super-PRED |
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
12.6 nM 12.6 nM 12.6 nM |
Potency Potency Potency |
via Super-PRED
via CMAUP via CMAUP |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 94.65% | 87.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.94% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.31% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.30% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.12% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.28% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.08% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.08% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.66% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.40% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.02% | 97.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| PubChem | 8103 |
| NPASS | NPC275462 |
| ChEMBL | CHEMBL14085 |
| LOTUS | LTS0217299 |
| wikiData | Q76933 |