5-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
| Internal ID | 71677e37-56ac-4e9e-9d3c-1aedac1f9e03 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 5-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol |
| SMILES (Canonical) | CC1(CC(CC2C1CCCC2CO)C(C)(C)O)O |
| SMILES (Isomeric) | CC1(CC(CC2C1CCCC2CO)C(C)(C)O)O |
| InChI | InChI=1S/C15H28O3/c1-14(2,17)11-7-12-10(9-16)5-4-6-13(12)15(3,18)8-11/h10-13,16-18H,4-9H2,1-3H3 |
| InChI Key | QLHOUCFDWXXRGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.38 g/mol |
| Exact Mass | 256.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.18% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.63% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.13% | 97.79% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.33% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.20% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.79% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.69% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.00% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.02% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.26% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.81% | 86.92% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.33% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.23% | 89.34% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.47% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.45% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.16% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.85% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.62% | 96.43% |
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.
| Daucus carota |
| PubChem | 162938995 |
| LOTUS | LTS0153796 |
| wikiData | Q105223589 |