2,7-Dihydroxy-4-isopropyl-6-methylnaphthalene-1-carboxylic acid methyl ester
| Internal ID | 889352b1-21bc-450b-abdf-eeb952839ed9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carboxylate |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C(=O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C(=O)OC |
| InChI | InChI=1S/C16H18O4/c1-8(2)10-6-14(18)15(16(19)20-4)12-7-13(17)9(3)5-11(10)12/h5-8,17-18H,1-4H3 |
| InChI Key | FEOZGAGVOUZGSU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H18O4 |
| Molecular Weight | 274.31 g/mol |
| Exact Mass | 274.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.40 |
| 2,7-Dihydroxy-4-isopropyl-6-methylnaphthalene-1-carboxylic acid methyl ester |
| 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 | 97.30% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.04% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.87% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.00% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.75% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.25% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.02% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.15% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.98% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.06% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.92% | 93.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.82% | 93.65% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.79% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.74% | 95.56% |
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 | 71726176 |
| NPASS | NPC168471 |
| ChEMBL | CHEMBL2386316 |
| LOTUS | LTS0058174 |
| wikiData | Q104994104 |