1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)-
| Internal ID | 0f7e40a4-574a-481d-b89c-b4abf62c1106 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 8-hydroxy-2-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C(C=C2C(C)C)OC)C=O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C(C=C2C(C)C)OC)C=O |
| InChI | InChI=1S/C16H18O3/c1-9(2)11-7-15(19-4)13(8-17)16-12(11)5-10(3)6-14(16)18/h5-9,18H,1-4H3 |
| InChI Key | NHPCJAMEAJBJSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O3 |
| Molecular Weight | 258.31 g/mol |
| Exact Mass | 258.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.70 |
| 40817-06-9 |
| 1-Naphthalenecarboxaldehyde, 8-hydroxy-2-methoxy-6-methyl-4-(1-methylethyl)- |
| 8-Hydroxy-4-isopropyl-2-methoxy-6-methyl-1-naphthaldehyde |
| 2H-Naphtho(1,8-bc)furan-3-ol, 4-methoxy-7-methyl-5-(1-methylethyl)- |
| DTXSID00193805 |
| 8-hydroxy-2-methoxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.13% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.27% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.89% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.69% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.86% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.10% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.84% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.66% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.75% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.26% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.05% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.68% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.33% | 91.19% |
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.
| Gossypium barbadense |
| PubChem | 6451649 |
| LOTUS | LTS0065529 |
| wikiData | Q83066532 |