1,2-Naphthalenedione, 6-hydroxy-3,8-dimethyl-5-(1-methylethyl)-
| Internal ID | 2ec99af6-9ba6-42a0-bc3b-addad611dc49 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6-hydroxy-3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=CC(=C2C(C)C)O)C)C(=O)C1=O |
| SMILES (Isomeric) | CC1=CC2=C(C(=CC(=C2C(C)C)O)C)C(=O)C1=O |
| InChI | InChI=1S/C15H16O3/c1-7(2)12-10-5-9(4)14(17)15(18)13(10)8(3)6-11(12)16/h5-7,16H,1-4H3 |
| InChI Key | KAIIHLMDZDKJOC-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.28 g/mol |
| Exact Mass | 244.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.00 |
| 1,2-Naphthalenedione, 6-hydroxy-3,8-dimethyl-5-(1-methylethyl)- |
| 1,2-Naphthoquinone, 6-hydroxy-5-isopropyl-3,8-dimethyl- |
| Manosonone G |
| SCHEMBL9863854 |
| CHEMBL2206793 |
| KAIIHLMDZDKJOC-UHFFFAOYSA- |
| KAIIHLMDZDKJOC-UHFFFAOYSA-N |
| 6-hydroxy-3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione |
| 6-Hydroxy-5-isopropyl-3,8-dimethyl-[1,2]naphthoquinone |
| 6-Hydroxy-5-isopropyl-3,8-dimethyl-1,2-naphthalenedione # |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.25% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.26% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.32% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.06% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.94% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.67% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.41% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.11% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.77% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.58% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.73% | 93.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.72% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.03% | 99.23% |
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.
| Helicteres angustifolia |
| Mansonia gagei |
| Murraya euchrestifolia |
| Thespesia garckeana |
| Thespesia populnea |
| Ulmus americana |
| Ulmus parvifolia |
| PubChem | 608583 |
| NPASS | NPC282577 |
| ChEMBL | CHEMBL2206793 |
| LOTUS | LTS0260677 |
| wikiData | Q104252124 |