1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
| Internal ID | 89aa7b29-8268-4ae2-b864-11e085aad179 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2,7-dihydroxy-8-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC1=CC2=C(C(=C(C=C2C(C)C)O)C=O)C(=C1O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C(C=C2C(C)C)O)C=O)C(=C1O)OC |
| InChI | InChI=1S/C16H18O4/c1-8(2)10-6-13(18)12(7-17)14-11(10)5-9(3)15(19)16(14)20-4/h5-8,18-19H,1-4H3 |
| InChI Key | QWFNWXJYYIVFBK-UHFFFAOYSA-N |
| Popularity | 4 references 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 | 3.90 |
| 80442-49-5 |
| isohemigossypol-1-methyl ester |
| Isohemigossypol-1-methyl ether |
| CHEMBL401282 |
| DTXSID80230323 |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.51% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.23% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.40% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.41% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.14% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.62% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.09% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.01% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.49% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.86% | 95.50% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.38% | 93.18% |
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.
| Bombax anceps |
| Bombax ceiba |
| Hibiscus taiwanensis |
| PubChem | 157642 |
| LOTUS | LTS0212826 |
| wikiData | Q83110813 |