(1S,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol
| Internal ID | 818fc220-966b-4ab7-a3b6-baae811ae099 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (1S,4S)-3,4,5,5-tetramethyl-4-(3-methylbutyl)cyclohex-2-en-1-ol |
| SMILES (Canonical) | CC1=CC(CC(C1(C)CCC(C)C)(C)C)O |
| SMILES (Isomeric) | CC1=C[C@H](CC([C@]1(C)CCC(C)C)(C)C)O |
| InChI | InChI=1S/C15H28O/c1-11(2)7-8-15(6)12(3)9-13(16)10-14(15,4)5/h9,11,13,16H,7-8,10H2,1-6H3/t13-,15-/m1/s1 |
| InChI Key | RUUSVNHREYRUJC-UKRRQHHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O |
| Molecular Weight | 224.38 g/mol |
| Exact Mass | 224.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.05% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.97% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.41% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.48% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.14% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.76% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.64% | 97.79% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.48% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.12% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 162868043 |
| LOTUS | LTS0130912 |
| wikiData | Q105245802 |