7-Hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone
| Internal ID | c4a1c2e5-9e4a-42a3-be2f-7f7db32bb4f0 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 7-hydroxy-2-methoxy-3-methyl-5-propan-2-ylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)O)C(C)C)OC |
| SMILES (Isomeric) | CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)O)C(C)C)OC |
| InChI | InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3 |
| InChI Key | GMQGRIMALOVAPW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.80 |
| CHEBI:174420 |
| DTXSID101161658 |
| 15-Nor-2-O-methylisohemigossypolone |
| 7-hydroxy-2-methoxy-3-methyl-5-propan-2-ylnaphthalene-1,4-dione |
| 7-Hydroxy-2-methoxy-3-methyl-5-(1-methylethyl)-1,4-naphthalenedione |
| 253609-43-7 |
| 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 | 97.15% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.89% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.84% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.13% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.13% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.02% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.30% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.58% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.90% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.05% | 90.00% |
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.
| Pachira aquatica |
| PubChem | 86205980 |
| LOTUS | LTS0202111 |
| wikiData | Q105012073 |