6-Methylheptan-3-ol
| Internal ID | bb598a56-2b8d-4f15-b9b7-4162caf282d2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | 6-methylheptan-3-ol |
| SMILES (Canonical) | CCC(CCC(C)C)O |
| SMILES (Isomeric) | CCC(CCC(C)C)O |
| InChI | InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3 |
| InChI Key | MNBIBGDICHMQFN-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C8H18O |
| Molecular Weight | 130.23 g/mol |
| Exact Mass | 130.135765193 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 2.40 |
| 6-Methyl-3-heptanol |
| 18720-66-6 |
| 3-Heptanol, 6-methyl- |
| 2-Methyl-5-heptanol |
| EINECS 242-532-8 |
| 3-Heptanol,6-methyl- |
| SCHEMBL108677 |
| MNBIBGDICHMQFN-UHFFFAOYSA- |
| DTXSID50864851 |
| CHEBI:186745 |
| 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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.15% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.98% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.57% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.60% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.01% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.76% | 92.86% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.50% | 98.05% |
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 | 86783 |
| LOTUS | LTS0182653 |
| wikiData | Q104254045 |