1alpha-Methoxy-1beta,6-dimethyl-4-isopropyl-7-hydroxynaphthalene-2(1H)-one
| Internal ID | 6b774c31-4035-44e3-9d1f-42dac5f00628 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S)-7-hydroxy-1-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C(C(=O)C=C2C(C)C)(C)OC |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@](C(=O)C=C2C(C)C)(C)OC |
| InChI | InChI=1S/C16H20O3/c1-9(2)11-7-15(18)16(4,19-5)13-8-14(17)10(3)6-12(11)13/h6-9,17H,1-5H3/t16-/m0/s1 |
| InChI Key | IMXAAFUJLPLVEW-INIZCTEOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.33 g/mol |
| Exact Mass | 260.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.70 |
| 1alpha-Methoxy-1beta,6-dimethyl-4-isopropyl-7-hydroxynaphthalene-2(1H)-one |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.97% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.97% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.52% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.58% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.29% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.90% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.30% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.70% | 86.33% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.06% | 95.70% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.57% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.87% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.40% | 93.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.37% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.77% | 94.00% |
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.
| Alangium chinense |
| PubChem | 71726174 |
| NPASS | NPC253488 |
| ChEMBL | CHEMBL2386314 |
| LOTUS | LTS0203231 |
| wikiData | Q105115977 |