(3S)-5-(7-hydroxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-2-methylpentane-2,3-diol
| Internal ID | b82be652-0d90-455b-9ef4-d55fa456eef6 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthols and derivatives |
| IUPAC Name | (3S)-5-(7-hydroxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-2-methylpentane-2,3-diol |
| SMILES (Canonical) | CC1=C(C2=CC(=C(C=C2C=C1)C(C)C)O)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC1=C(C2=CC(=C(C=C2C=C1)C(C)C)O)CC[C@@H](C(C)(C)O)O |
| InChI | InChI=1S/C20H28O3/c1-12(2)16-10-14-7-6-13(3)15(17(14)11-18(16)21)8-9-19(22)20(4,5)23/h6-7,10-12,19,21-23H,8-9H2,1-5H3/t19-/m0/s1 |
| InChI Key | GQRAZEJOXPGRMJ-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.42% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.32% | 99.15% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.43% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.84% | 93.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.66% | 93.18% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.21% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.81% | 89.62% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.14% | 97.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.27% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.75% | 90.71% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.95% | 92.68% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.94% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.68% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.64% | 86.33% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.06% | 95.34% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.51% | 92.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.04% | 96.00% |
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.
| Calocedrus macrolepis |
| PubChem | 163019732 |
| LOTUS | LTS0081844 |
| wikiData | Q105015539 |