6-[(4S)-7-hydroxy-4-methyl-3-propan-2-ylideneheptyl]naphthalene-1,4-dione
| Internal ID | ac251d62-f620-42ef-99a0-229c4a628b16 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-[(4S)-7-hydroxy-4-methyl-3-propan-2-ylideneheptyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CC(CCCO)C(=C(C)C)CCC1=CC2=C(C=C1)C(=O)C=CC2=O |
| SMILES (Isomeric) | C[C@@H](CCCO)C(=C(C)C)CCC1=CC2=C(C=C1)C(=O)C=CC2=O |
| InChI | InChI=1S/C21H26O3/c1-14(2)17(15(3)5-4-12-22)8-6-16-7-9-18-19(13-16)21(24)11-10-20(18)23/h7,9-11,13,15,22H,4-6,8,12H2,1-3H3/t15-/m0/s1 |
| InChI Key | KDIWZUVZDDCMPQ-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 6-[(4S)-7-hydroxy-4-methyl-3-propan-2-ylideneheptyl]naphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6-4s-7-hydroxy-4-methyl-3-propan-2-ylideneheptylnaphthalene-14-dione.jpg "2D Structure of 6-[(4S)-7-hydroxy-4-methyl-3-propan-2-ylideneheptyl]naphthalene-1,4-dione")
| 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 | 99.44% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.84% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.11% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.47% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.22% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.56% | 99.17% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.98% | 96.37% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.91% | 95.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.55% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.84% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.42% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.22% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.58% | 90.24% |
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.
| Varronia curassavica |
| Varronia polycephala |
| PubChem | 162964769 |
| LOTUS | LTS0218335 |
| wikiData | Q105139164 |