1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 65b21e53-c91f-4791-96b3-3d58e3ff30c6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CO)(C)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(C2CO)(C)O)C)C |
| InChI | InChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)11(13)6-9-15(4,17)12(14)10-16/h11-12,16-17H,5-10H2,1-4H3 |
| InChI Key | MLWFPIRGSGERCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O2 |
| Molecular Weight | 240.38 g/mol |
| Exact Mass | 240.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.90 |
| Oprea1_680875 |
| AKOS000582903 |
| AKOS030484300 |
| 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 | 98.70% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.80% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.06% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.88% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.71% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 86.22% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.56% | 97.64% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.25% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.88% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.41% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.13% | 95.89% |
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.
| Nicotiana tabacum |
| PubChem | 3122513 |
| LOTUS | LTS0145779 |
| wikiData | Q105167232 |